Molecule

ID:3218

General Information
Structure
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Molecular Formula
C₅H₈O₄
Molecular Mass
132.11462
Exact Mass
132.04225874
Charge
0
InChI
InChI=1S/C5H8O4/c6-4(7)2-1-3-5(8)9/h1-3H2,(H,6,7)(H,8,9)
InChIKey
JFCQEDHGNNZCLN-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCCC(=O)O
Isomeric Smiles
OC(=O)CCCC(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-6.03
LogD (pH = 5.5)
-2.68
Log P
0.05
Rotatable Bonds
4
H Donor
2
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
3.76
Polar Surface Area
74.60
Polarizability
12.19
Molar Refractivity
28.14
LOG S
0.46
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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