Mrv1652306031608242D          

 23 25  0  0  0  0            999 V2000
    2.9684    3.9336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684   -1.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4934    1.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539    3.5211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6829    3.5211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6829   -0.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539   -0.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9059    0.7441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9059    2.1730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539    2.6961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6829    2.6961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6829    0.2211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539    0.2211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309    0.7441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309    2.1730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0309    2.1730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2059    2.1730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684    2.2836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684    0.6336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684    1.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4434    1.4586    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    1.4586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6  2  2  0  0  0  0
  7  2  1  0  0  0  0
  8  3  2  0  0  0  0
  9  3  1  0  0  0  0
 10  4  1  0  0  0  0
 11  5  2  0  0  0  0
 12  6  1  0  0  0  0
 13  7  2  0  0  0  0
 14  8  1  0  0  0  0
 15  9  2  0  0  0  0
 17 16  1  0  0  0  0
 18 10  2  0  0  0  0
 18 11  1  0  0  0  0
 19 12  2  0  0  0  0
 19 13  1  0  0  0  0
 20 14  2  0  0  0  0
 20 15  1  0  0  0  0
 21 18  1  0  0  0  0
 21 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 16  1  0  0  0  0
 23 17  1  0  0  0  0
 23 21  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM044588

> <DATABASE_NAME>
chemdb

> <SMILES>
ClCCOC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C21H19ClO/c22-16-17-23-21(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2

> <INCHI_KEY>
SYWFBBWOXLVTAN-UHFFFAOYSA-N

> <FORMULA>
C21H19ClO

> <MOLECULAR_WEIGHT>
322.83

> <EXACT_MASS>
322.1124429

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
42

> <JCHEM_AVERAGE_POLARIZABILITY>
35.352197727967294

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[(2-chloroethoxy)diphenylmethyl]benzene

> <ALOGPS_LOGP>
5.79

> <JCHEM_LOGP>
5.945994414666667

> <ALOGPS_LOGS>
-6.94

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.270027384893945

> <JCHEM_POLAR_SURFACE_AREA>
9.23

> <JCHEM_REFRACTIVITY>
97.406

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.68e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
[(2-chloroethoxy)diphenylmethyl]benzene

> <JCHEM_VEBER_RULE>
1

> <NAME>
2-chloroethyl trityl ether

> <CAS>
1235-23-0

$$$$