Molecule

ID:89877

General Information
Structure
MolImage
Molecular Formula
C₅H₄O₃
Molecular Mass
112.08346
Exact Mass
112.01604399
Charge
0
InChI
InChI=1S/C5H4O3/c1-3-2-4(6)8-5(3)7/h2H,1H3
InChIKey
AYKYXWQEBUNJCN-UHFFFAOYSA-N
Canonic Smiles
O=C1C=C(C(=O)O1)C
Isomeric Smiles
O1C(=O)C=C(C1=O)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.95547485
LogD (pH = 7.4)
0.95547485
Log P
0.95547485
Molar Refractivity
25.7587
Polarizability
9.90457
Polar Surface Area
43.37
Rotatable Bonds
0
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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