Molecule

ID:107926

General Information
Structure
MolImage
Molecular Formula
C₇H₁₆O₂
Molecular Mass
132.20074
Exact Mass
132.11502975
Charge
0
InChI
InChI=1S/C7H16O2/c1-3-4-7(2,5-8)6-9/h8-9H,3-6H2,1-2H3
InChIKey
JVZZUPJFERSVRN-UHFFFAOYSA-N
Canonic Smiles
CCCC(CO)(CO)C
Isomeric Smiles
CCCC(C)(CO)CO
Calculated Properties
JChem
Acid pKa
14.747742
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.7120931
LogD (pH = 7.4)
0.7120931
Log P
0.7120931
Molar Refractivity
37.3803
Polarizability
14.86285
Polar Surface Area
40.46
Rotatable Bonds
4
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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