Molecule
ID:60296
General Information
Molecular Formula
C₅H₈O₄
Molecular Mass
132.11462
Exact Mass
132.04225874
Charge
0
InChI
InChI=1S/C5H8O4/c1-5(4(6)7)8-2-3-9-5/h2-3H2,1H3,(H,6,7)
InChIKey
ZHGDCOBQAGUTIW-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1(C)OCCO1
Isomeric Smiles
C1COC(O1)(C)C(=O)O
Calculated Properties
JChem
Acid pKa
3.0778348
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.1287913
LogD (pH = 7.4)
-3.2022386
Log P
0.2623515
Molar Refractivity
28.0812
Polarizability
11.299419
Polar Surface Area
55.76
Rotatable Bonds
1
Lipinski's Rule of Five
true
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
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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