Molecule

ID:53090

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇NO₄
Molecular Mass
205.16688
Exact Mass
205.03750771
Charge
0
InChI
InChI=1S/C10H7NO4/c12-9(13)7-5-3-1-2-4-6(5)11-8(7)10(14)15/h1-4,11H,(H,12,13)(H,14,15)
InChIKey
MBNROFBGTNXXMX-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1c([nH]c2c1cccc2)C(=O)O
Isomeric Smiles
c1ccc2c(c1)[nH]c(c2C(=O)O)C(=O)O
Calculated Properties
JChem
Acid pKa
3.6038897
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-1.1250708
LogD (pH = 7.4)
-4.3124356
Log P
1.3071748
Molar Refractivity
51.5344
Polarizability
20.231972
Polar Surface Area
90.39
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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