Molecule

ID:88378

General Information
Structure
MolImage
Molecular Formula
C₇H₁₂O₂
Molecular Mass
128.16898
Exact Mass
128.08372962
Charge
0
InChI
InChI=1S/C7H12O2/c8-5-6-3-1-2-4-7(6)9/h6,8H,1-5H2
InChIKey
SIGZQOSGZJNAKB-UHFFFAOYSA-N
Canonic Smiles
OCC1CCCCC1=O
Isomeric Smiles
O=C1C(CCCC1)CO
Calculated Properties
JChem
Acid pKa
15.31476
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.75040936
LogD (pH = 7.4)
0.75040936
Log P
0.75040936
Molar Refractivity
34.5966
Polarizability
13.597798
Polar Surface Area
37.3
Rotatable Bonds
1
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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