Molecule

ID:80875

General Information
Structure
MolImage
Molecular Formula
C₉H₆O₄
Molecular Mass
178.14154
Exact Mass
178.02660867
Charge
0
InChI
InChI=1S/C9H6O4/c10-7-5-3-1-2-4-6(5)8(11)9(7,12)13/h1-4,12-13H
InChIKey
FEMOMIGRRWSMCU-UHFFFAOYSA-N
Canonic Smiles
O=C1c2ccccc2C(=O)C1(O)O
Isomeric Smiles
O=C1c2c(cccc2)C(=O)C1(O)O
Calculated Properties
JChem
Acid pKa
8.266808
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.4507201
LogD (pH = 7.4)
0.39610538
Log P
0.45146173
Molar Refractivity
43.4446
Polarizability
16.54283
Polar Surface Area
74.6
Rotatable Bonds
0
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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