Molecule

ID:31675

General Information
Structure
MolImage
Molecular Formula
C₇H₁₂O₂
Molecular Mass
128.16898
Exact Mass
128.08372962
Charge
0
InChI
InChI=1S/C7H12O2/c8-7(9)5-4-6-2-1-3-6/h6H,1-5H2,(H,8,9)
InChIKey
VNCXJXZUMVHKNG-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCC1CCC1
Isomeric Smiles
C(=O)(CCC1CCC1)O
Calculated Properties
JChem
Acid pKa
4.867649
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.9113701
LogD (pH = 7.4)
-0.8577787
Log P
1.6341894
Molar Refractivity
33.82
Polarizability
13.422073
Polar Surface Area
37.3
Rotatable Bonds
3
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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