Molecule

ID:14040

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇NO₄
Molecular Mass
205.16688
Exact Mass
205.03750771
Charge
0
InChI
InChI=1S/C10H7NO4/c11-9(13)7-3-5-1-2-6(12)4-8(5)15-10(7)14/h1-4,12H,(H2,11,13)
InChIKey
NSZLQUPVYNFBHX-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc2c(c1)oc(=O)c(c2)C(=O)N
Isomeric Smiles
c12c(cc(c(=O)o1)C(=O)N)ccc(c2)O
Calculated Properties
JChem
Acid pKa
7.6951904
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.25735047
LogD (pH = 7.4)
0.08345344
Log P
0.26009476
Molar Refractivity
51.426
Polarizability
19.422392
Polar Surface Area
89.62
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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