Molecule

ID:14896

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇NO₄
Molecular Mass
205.16688
Exact Mass
205.03750771
Charge
0
InChI
InChI=1S/C10H7NO4/c12-7-3-1-6(2-4-7)9-5-8(10(13)14)11-15-9/h1-5,12H,(H,13,14)
InChIKey
PSQJYQJRWKEMEC-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(cc1)c1onc(c1)C(=O)O
Isomeric Smiles
c1(c2ccc(cc2)O)cc(no1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.9060488
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.044938006
LogD (pH = 7.4)
-1.5721521
Log P
1.6448857
Molar Refractivity
51.3788
Polarizability
20.236681
Polar Surface Area
83.56
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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