Keyword(s): Human Metabolites
Molecule Category Free-form
UNII TUV7462NWK
EPA CompTox DTXSID3051462

Structure

InChI Key SNMVRZFUUCLYTO-UHFFFAOYSA-N
Smiles CCCCl
InChI
InChI=1S/C3H7Cl/c1-2-3-4/h2-3H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H7Cl1
Molecular Weight 78.02
AlogP 1.64
Number of Rotational Bond 1.0
Heavy Atoms 4.0

Cross References

Resources Reference
CAS NUMBER 540-54-5
NORMAN SUSDAT
FDA SRS TUV7462NWK
PubChem 10899
ChemSpider 6316.0