Mrv1652306031608382D          

 14 15  0  0  0  0            999 V2000
    0.5518    1.0052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1838    0.4749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7117    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0797    1.5695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9590    0.7570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6302    1.0052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0035   -0.4877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4870    1.8176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2230    0.7570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9982    0.4749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5910    0.2267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1189    2.3479    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.1415   -0.3376    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1785   -0.4877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  4  3  2  0  0  0  0
  5  2  1  0  0  0  0
  8  3  1  0  0  0  0
  8  6  2  0  0  0  0
  9  4  1  0  0  0  0
 10  6  1  0  0  0  0
 10  9  2  0  0  0  0
 11  5  1  0  0  0  0
 11  7  1  0  0  0  0
 11  9  1  0  0  0  0
 12  8  1  0  0  0  0
 13 10  1  0  0  0  0
 14  7  1  0  0  0  0
 14 11  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM044860

> <DATABASE_NAME>
chemdb

> <SMILES>
ClC1=CC(Cl)=C(C=C1)C1(CC=C)CO1

> <INCHI_IDENTIFIER>
InChI=1S/C11H10Cl2O/c1-2-5-11(7-14-11)9-4-3-8(12)6-10(9)13/h2-4,6H,1,5,7H2

> <INCHI_KEY>
MXTPNUNSCNGUFB-UHFFFAOYSA-N

> <FORMULA>
C11H10Cl2O

> <MOLECULAR_WEIGHT>
229.1

> <EXACT_MASS>
228.0108703

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
24

> <JCHEM_AVERAGE_POLARIZABILITY>
22.06212701663819

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-(2,4-dichlorophenyl)-2-(prop-2-en-1-yl)oxirane

> <ALOGPS_LOGP>
4.04

> <JCHEM_LOGP>
3.8890337736666667

> <ALOGPS_LOGS>
-4.57

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.23953803747097

> <JCHEM_POLAR_SURFACE_AREA>
12.53

> <JCHEM_REFRACTIVITY>
58.74320000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.23e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-(2,4-dichlorophenyl)-2-(prop-2-en-1-yl)oxirane

> <JCHEM_VEBER_RULE>
1

> <NAME>
2-(2,4-dichlorophenyl)-2-(2-propenyl)oxirane

> <CAS>
89544-48-9

$$$$