Mrv1652301052018052D          

  5  5  0  0  0  0            999 V2000
    0.5678    1.1143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2352    0.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9803   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1553   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0997    0.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
M  END
> <DATABASE_ID>
T3D3465

> <DATABASE_NAME>
t3db

> <SMILES>
C1CCCC1

> <INCHI_IDENTIFIER>
InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2

> <INCHI_KEY>
RGSFGYAAUTVSQA-UHFFFAOYSA-N

> <FORMULA>
C5H10

> <MOLECULAR_WEIGHT>
70.1329

> <EXACT_MASS>
70.07825032

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
15

> <JCHEM_AVERAGE_POLARIZABILITY>
9.200255967511708

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
cyclopentane

> <JCHEM_LOGP>
2.222843325

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
23.005

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
cyclopentane

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D3465

> <NAME>
Cyclopentane

> <CAS>
287-92-3

> <SYNONYMS>
Ciclopentano; Cyclopentadienes; Cyclopentan; Cyclopentanes; Cyclopentene; Pentamethylene; Zyklopentan

> <TYPES>
Organic Compound; Industrial Precursor/Intermediate; Gasoline Additive/Component; Household Toxin; Industrial/Workplace Toxin; Synthetic Compound

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