Molecule

ID:135232

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀O₂
Molecular Mass
103.12435484
Exact Mass
103.0714344
Charge
0
InChI
InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)/i1+1
InChIKey
NQPDZGIKBAWPEJ-OUBTZVSYSA-N
Canonic Smiles
[13CH3]CCCC(=O)O
Isomeric Smiles
[13CH3]CCCC(=O)O
Calculated Properties
JChem
Acid pKa
5.0138073
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.75783914
LogD (pH = 7.4)
-0.9914923
Log P
1.3663274
Molar Refractivity
26.4726
Polarizability
10.47515
Polar Surface Area
37.3
Rotatable Bonds
3
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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