Molecule

ID:91119

General Information
Structure
MolImage
Molecular Formula
C₇H₁₂O₂
Molecular Mass
128.16898
Exact Mass
128.08372962
Charge
0
InChI
InChI=1S/C7H12O2/c8-7(9)5-6-3-1-2-4-6/h6H,1-5H2,(H,8,9)
InChIKey
YVHAIVPPUIZFBA-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CC1CCCC1
Isomeric Smiles
OC(=O)CC1CCCC1
Calculated Properties
JChem
Acid pKa
4.8639407
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.908365
LogD (pH = 7.4)
-0.861136
Log P
1.6341894
Molar Refractivity
33.82
Polarizability
13.422073
Polar Surface Area
37.3
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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