Molecule

ID:129147

General Information
Structure
Molecular Formula
C₅H₄O₂
Molecular Mass
96.08406
Exact Mass
96.02112937
Charge
0
InChI
InChI=1S/C5H4O2/c1-4-2-3-5(6)7-4/h2-3H,1H2
InChIKey
RNYZJZKPGHQTJR-UHFFFAOYSA-N
Canonic Smiles
C=C1C=CC(=O)O1
Isomeric Smiles
C=C1C=CC(=O)O1
Calculated Properties
JChem
LogD (pH = 7.4)
0.80
LogD (pH = 5.5)
0.80
Log P
0.80
Rotatable Bonds
0
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
-6.94
Polar Surface Area
26.30
Polarizability
8.82
Molar Refractivity
26.01
LOG S
-1.17
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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