Molecule

ID:121258

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀N₂O₃
Molecular Mass
230.2194
Exact Mass
230.06914219
Charge
0
InChI
InChI=1S/C12H10N2O3/c1-8(15)13-9-3-2-4-10(7-9)14-11(16)5-6-12(14)17/h2-7H,1H3,(H,13,15)
InChIKey
UYCLQMPQVKMMJO-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Nc1cccc(c1)N1C(=O)C=CC1=O
Isomeric Smiles
N1(c2cc(NC(=O)C)ccc2)C(=O)C=CC1=O
Calculated Properties
JChem
Acid pKa
14.016923
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.4834411
LogD (pH = 7.4)
0.48344186
Log P
0.48344195
Molar Refractivity
62.8887
Polarizability
22.901413
Polar Surface Area
66.48
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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