Molecule

ID:85265

General Information
Structure
MolImage
Molecular Formula
C₇H₁₆O₂
Molecular Mass
132.20074
Exact Mass
132.11502975
Charge
0
InChI
InChI=1S/C7H16O2/c1-2-3-4-7(5-8)6-9/h7-9H,2-6H2,1H3
InChIKey
SIMYRXPCIUXDGR-UHFFFAOYSA-N
Canonic Smiles
CCCCC(CO)CO
Isomeric Smiles
OCC(CO)CCCC
Calculated Properties
JChem
Acid pKa
15.098371
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.6643102
LogD (pH = 7.4)
0.6643102
Log P
0.6643102
Molar Refractivity
37.6384
Polarizability
14.86285
Polar Surface Area
40.46
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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