Molecule

ID:2145

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀O₂
Molecular Mass
102.1317
Exact Mass
102.06807956
Charge
0
InChI
InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)
InChIKey
NQPDZGIKBAWPEJ-UHFFFAOYSA-N
Canonic Smiles
CCCCC(=O)O
Isomeric Smiles
CCCCC(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-0.99
LogD (pH = 5.5)
0.76
Log P
1.37
Rotatable Bonds
3
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
5.01
Polar Surface Area
37.30
Polarizability
11.22
Molar Refractivity
26.47
LOG S
-0.87
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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