Molecule

ID:11159

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇NO₄
Molecular Mass
205.16688
Exact Mass
205.03750771
Charge
0
InChI
InChI=1S/C10H7NO4/c12-8(13)5-11-7-4-2-1-3-6(7)9(14)10(11)15/h1-4H,5H2,(H,12,13)
InChIKey
KYAMYNWIAQNFEG-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CN1c2ccccc2C(=O)C1=O
Isomeric Smiles
N1(C(=O)C(=O)c2c1cccc2)CC(=O)O
Calculated Properties
JChem
Acid pKa
3.2569847
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.9300023
LogD (pH = 7.4)
-3.1412692
Log P
0.29359293
Molar Refractivity
49.6755
Polarizability
18.831203
Polar Surface Area
74.68
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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