Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID4052009

Structure

InChI Key NBCMACYORPIYNY-UHFFFAOYSA-N
Smiles CC=CCCC1CCCC(=O)O1
InChI
InChI=1S/C10H16O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h2-3,9H,4-8H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H16O2
Molecular Weight 168.12
AlogP 2.44
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 26.3
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 32764-98-0
NORMAN SUSDAT
PubChem 122954
ChemSpider 4942802.0