Mrv1572004191602142D          

 24 26  0  0  0  0            999 V2000
   -1.9702    5.5004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5223    4.8873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1633    5.3289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2673    4.1027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083    4.5442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4604    3.9312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6284    1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3984    2.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4534    1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845    0.6979    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7845    2.3479    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.2784    1.5229    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4534    2.3479    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4534    0.6979    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435    0.8555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435    2.1904    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1536    3.5881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2054    3.1465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  8  4  2  0  0  0  0
  8  5  1  0  0  0  0
  9  6  2  0  0  0  0
 10  7  2  0  0  0  0
 10  9  1  0  0  0  0
 11  6  1  0  0  0  0
 12  7  1  0  0  0  0
 12 11  2  0  0  0  0
 15 13  1  0  0  0  0
 16  9  1  0  0  0  0
 17 10  1  0  0  0  0
 18 15  1  0  0  0  0
 19 15  1  0  0  0  0
 20 15  1  0  0  0  0
 21 11  1  0  0  0  0
 21 13  2  0  0  0  0
 22 12  1  0  0  0  0
 22 13  1  0  0  0  0
 22 14  1  0  0  0  0
 23 14  2  0  0  0  0
 24  8  1  0  0  0  0
 24 14  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM008109

> <DATABASE_NAME>
chemdb

> <SMILES>
FC(F)(F)C1=NC2=C(C=C(Cl)C(Cl)=C2)N1C(=O)OC1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C15H7Cl2F3N2O2/c16-9-6-11-12(7-10(9)17)22(13(21-11)15(18,19)20)14(23)24-8-4-2-1-3-5-8/h1-7H

> <INCHI_KEY>
ISVQSVPUDBVFFU-UHFFFAOYSA-N

> <FORMULA>
C15H7Cl2F3N2O2

> <MOLECULAR_WEIGHT>
375.13

> <EXACT_MASS>
373.9836674

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
31

> <JCHEM_AVERAGE_POLARIZABILITY>
31.666925474374715

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
phenyl 5,6-dichloro-2-(trifluoromethyl)-1H-1,3-benzodiazole-1-carboxylate

> <ALOGPS_LOGP>
5.34

> <JCHEM_LOGP>
5.320045414666668

> <ALOGPS_LOGS>
-5.83

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-0.28390102727096156

> <JCHEM_POLAR_SURFACE_AREA>
44.120000000000005

> <JCHEM_REFRACTIVITY>
80.7005

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.61e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
fenazaflor

> <JCHEM_VEBER_RULE>
0

> <NAME>
Fenazaflor

> <CAS>
14255-88-0

$$$$