Mrv1572004191602142D          

 19 21  0  0  0  0            999 V2000
    2.8579    7.5526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    7.9651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    6.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164    3.5382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414    3.5382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9441    4.2571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7511    4.0856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    6.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    4.2526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    7.5526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    6.3151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    5.0776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    5.0776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6116    5.4132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    7.9651    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    5.4901    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    5.4901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7831    6.2202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1636    4.8001    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
  5  4  1  0  0  0  0
  7  6  1  0  0  0  0
  9  4  1  0  0  0  0
  9  5  1  0  0  0  0
 10  2  1  0  0  0  0
 10  8  2  0  0  0  0
 11  3  2  0  0  0  0
 11  8  1  0  0  0  0
 12  6  1  0  0  0  0
 13  9  1  0  0  0  0
 14 12  1  0  0  0  0
 15 10  1  0  0  0  0
 16 11  1  0  0  0  0
 16 12  1  0  0  0  0
 16 13  1  0  0  0  0
 17 13  2  0  0  0  0
 18 14  2  0  0  0  0
 19  7  1  0  0  0  0
 19 14  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM008103

> <DATABASE_NAME>
chemdb

> <SMILES>
ClC1=CC(=CC=C1)N(C1CCOC1=O)C(=O)C1CC1

> <INCHI_IDENTIFIER>
InChI=1S/C14H14ClNO3/c15-10-2-1-3-11(8-10)16(13(17)9-4-5-9)12-6-7-19-14(12)18/h1-3,8-9,12H,4-7H2

> <INCHI_KEY>
KRZUZYJEQBXUIN-UHFFFAOYSA-N

> <FORMULA>
C14H14ClNO3

> <MOLECULAR_WEIGHT>
279.72

> <EXACT_MASS>
279.066221

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
33

> <JCHEM_AVERAGE_POLARIZABILITY>
27.336129130426503

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
N-(3-chlorophenyl)-N-(2-oxooxolan-3-yl)cyclopropanecarboxamide

> <ALOGPS_LOGP>
2.12

> <JCHEM_LOGP>
2.1831315986666664

> <ALOGPS_LOGS>
-2.62

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-2.916528143233469

> <JCHEM_POLAR_SURFACE_AREA>
46.61

> <JCHEM_REFRACTIVITY>
69.7363

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.70e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
cyprofuram

> <JCHEM_VEBER_RULE>
0

> <NAME>
Cyprofuram

> <CAS>
69581-33-5

$$$$