Molecule

ID:65057

General Information
Structure
MolImage
Molecular Formula
C₅H₈O₃
Molecular Mass
116.11522
Exact Mass
116.04734412
Charge
0
InChI
InChI=1S/C5H8O3/c1-4(8-2)3-5(6)7/h3H,1-2H3,(H,6,7)/b4-3+
InChIKey
BNKISRDHFGXPMO-ONEGZZNKSA-N
Canonic Smiles
C/C(=C\C(=O)O)/OC
Isomeric Smiles
C(=C(\OC)/C)/C(=O)O
Calculated Properties
JChem
Acid pKa
4.914445
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.55762136
LogD (pH = 7.4)
-2.321692
Log P
0.12770158
Molar Refractivity
29.8394
Polarizability
10.970426
Polar Surface Area
46.53
Rotatable Bonds
2
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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