2-hydroxy capric acid   

GtoPdb Ligand ID: 5847

Synonyms: 2-hydroxy-decanoic acid | 2-OH-C10
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 57.53
Molecular weight 188.14
XLogP 3.18
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CCCCCCCCC(C(=O)O)O
Isomeric SMILES CCCCCCCCC(C(=O)O)O
InChI InChI=1S/C10H20O3/c1-2-3-4-5-6-7-8-9(11)10(12)13/h9,11H,2-8H2,1H3,(H,12,13)
InChI Key GHPVDCPCKSNJDR-UHFFFAOYSA-N
Classification
Compound class Metabolite or derivative
IUPAC Name
2-Hydroxydecanoic acid
Synonyms
2-hydroxy-decanoic acid | 2-OH-C10
Database Links
CAS Registry No. 5393-81-7 (source: Scifinder)
GtoPdb PubChem SID 178102471
PubChem CID 21488
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