Molecule

ID:31863

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀N₂O₃
Molecular Mass
230.2194
Exact Mass
230.06914219
Charge
0
InChI
InChI=1S/C12H10N2O3/c1-14-10(8-5-3-2-4-6-8)7-9(11(15)16)13-12(14)17/h2-7H,1H3,(H,15,16)
InChIKey
ZPKRSBLFSOBVTJ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc(c2ccccc2)n(c(=O)n1)C
Isomeric Smiles
c1(=O)n(c(cc(n1)C(=O)O)c1ccccc1)C
Calculated Properties
JChem
Acid pKa
3.067265
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.3100551
LogD (pH = 7.4)
-2.375198
Log P
1.0908434
Molar Refractivity
61.93
Polarizability
22.955215
Polar Surface Area
69.97
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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