Mrv1572004191604312D          

 14 14  0  0  0  0            999 V2000
    2.3222   -2.1022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5771   -1.3175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4972   -2.1022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3386   -0.8326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2422   -1.3175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3386   -0.0076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4807   -0.8326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6241    0.4049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4807   -0.0076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6241    1.2299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1952    0.4049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9097    1.6424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1952    1.2299    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9097    2.4674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  5  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  8  1  0  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
 13 11  1  4  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM015591

> <DATABASE_NAME>
chemdb

> <SMILES>
OC1=NCCCCCCCCCCC1

> <INCHI_IDENTIFIER>
InChI=1S/C12H23NO/c14-12-10-8-6-4-2-1-3-5-7-9-11-13-12/h1-11H2,(H,13,14)

> <INCHI_KEY>
JHWNWJKBPDFINM-UHFFFAOYSA-N

> <FORMULA>
C12H23NO

> <MOLECULAR_WEIGHT>
197.322

> <EXACT_MASS>
197.177964365

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
37

> <JCHEM_AVERAGE_POLARIZABILITY>
24.051265295027708

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
1-azacyclotridec-1-en-2-ol

> <ALOGPS_LOGP>
4.15

> <JCHEM_LOGP>
3.0946353440022505

> <ALOGPS_LOGS>
-4.15

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
5.084383496947201

> <JCHEM_PKA_STRONGEST_BASIC>
7.197340843342706

> <JCHEM_POLAR_SURFACE_AREA>
32.59

> <JCHEM_REFRACTIVITY>
59.58760000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.40e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1-azacyclotridec-1-en-2-ol

> <JCHEM_VEBER_RULE>
1

> <NAME>
Azacyclotridecan-2-one

> <CAS>
947-04-6

> <SYNONYMS>
1-azacyclotridecan-2-one; Dodecane-12-lactam; dodecane-12-lactam

$$$$