Molecule

ID:75121

General Information
Structure
MolImage
Molecular Formula
C₅H₄O₃
Molecular Mass
112.08346
Exact Mass
112.01604399
Charge
0
InChI
InChI=1S/C5H4O3/c6-5(7)4-2-1-3-8-4/h1-3H,(H,6,7)
InChIKey
SMNDYUVBFMFKNZ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccco1
Isomeric Smiles
O=C(c1ccco1)O
Calculated Properties
JChem
Acid pKa
3.1211138
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.6599585
LogD (pH = 7.4)
-2.767246
Log P
0.6910754
Molar Refractivity
25.7051
Polarizability
9.648124
Polar Surface Area
50.44
Rotatable Bonds
1
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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