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

Structure

InChI Key RLPKDPGRZGVHFM-UHFFFAOYSA-N
Smiles CCc1cc(Cl)cc(CC)c1N
InChI
InChI=1S/C10H14ClN/c1-3-7-5-9(11)6-8(4-2)10(7)12/h5-6H,3-4,12H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H14Cl1N1
Molecular Weight 183.08
AlogP 3.05
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 26.02
Heavy Atoms 12.0

Cross References

Resources Reference
NORMAN SUSDAT
PubChem 14348967