Molecule

ID:58472

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆O₂
Molecular Mass
168.23284
Exact Mass
168.11502975
Charge
0
InChI
InChI=1S/C10H16O2/c11-9-2-7-1-8(4-9)5-10(12,3-7)6-9/h7-8,11-12H,1-6H2
InChIKey
MOLCWHCSXCKHAP-UHFFFAOYSA-N
Canonic Smiles
OC12CC3CC(C1)CC(C2)(C3)O
Isomeric Smiles
C1C2CC3(CC1CC(C3)(C2)O)O
Calculated Properties
JChem
Acid pKa
14.3704405
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.18482812
LogD (pH = 7.4)
0.18482807
Log P
0.18482812
Molar Refractivity
45.5166
Polarizability
18.20762
Polar Surface Area
40.46
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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