Molecule

ID:30973

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇NO₄
Molecular Mass
205.16688
Exact Mass
205.03750771
Charge
0
InChI
InChI=1S/C10H7NO4/c12-8-5-3-1-2-4-6(5)11-9(13)7(8)10(14)15/h1-4H,(H,14,15)(H2,11,12,13)
InChIKey
JEBJIWLJHQOTIA-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1c(=O)[nH]c2c(c1O)cccc2
Isomeric Smiles
c1(c(c2c([nH]c1=O)cccc2)O)C(=O)O
Calculated Properties
JChem
Acid pKa
3.1577933
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-1.8891877
LogD (pH = 7.4)
-3.2389796
Log P
0.43083853
Molar Refractivity
53.2458
Polarizability
19.199272
Polar Surface Area
86.63
Rotatable Bonds
1
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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