Mrv1572004191601082D          

  3  3  0  0  0  0            999 V2000
    0.6507    0.1743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2382    0.8888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1743    0.1743    0.0000 C   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
  3  2  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM004004

> <DATABASE_NAME>
chemdb

> <SMILES>
C1CC1

> <INCHI_IDENTIFIER>
InChI=1S/C3H6/c1-2-3-1/h1-3H2

> <INCHI_KEY>
LVZWSLJZHVFIQJ-UHFFFAOYSA-N

> <FORMULA>
C3H6

> <MOLECULAR_WEIGHT>
42.081

> <EXACT_MASS>
42.046950193

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
9

> <JCHEM_AVERAGE_POLARIZABILITY>
5.512278077382804

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
cyclopropane

> <ALOGPS_LOGP>
1.56

> <JCHEM_LOGP>
1.333705995

> <ALOGPS_LOGS>
-0.62

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
13.803

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.01e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
cyclopropane

> <JCHEM_VEBER_RULE>
1

> <NAME>
Cyclopropane

> <CAS>
75-19-4

$$$$