Metabolite 5-exo-hydroxyfenchone

Name
5-exo-hydroxyfenchone
Description
Not Available
Structure
3D
Similar Structures
Synonyms
Not Available
UNII
Not Available
CAS number
Not Available
Weight
Average: 168.236
Monoisotopic: 168.115029755
Chemical Formula
C10H16O2
InChI Key
DJQYBVLXBVJHMU-IROMYEEYSA-N
InChI
InChI=1S/C10H16O2/c1-9(2)6-4-8(12)10(9,3)5-7(6)11/h6-7,11H,4-5H2,1-3H3/t6-,7?,10-/m1/s1
IUPAC Name
(1S,4S)-5-hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
SMILES
CC1(C)[C@@H]2CC(=O)[C@@]1(C)CC2O
Reactions
ChemSpider
32966590
Predicted Properties
PropertyValueSource
Water Solubility12.4 mg/mLALOGPS
logP1.12ALOGPS
logP1.24Chemaxon
logS-1.1ALOGPS
pKa (Strongest Acidic)14.88Chemaxon
pKa (Strongest Basic)-2.9Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area37.3 Å2Chemaxon
Rotatable Bond Count0Chemaxon
Refractivity46.08 m3·mol-1Chemaxon
Polarizability18.61 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleNoChemaxon