Molecule

ID:23396

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₂N₂O
Molecular Mass
212.24718
Exact Mass
212.09496301
Charge
0
InChI
InChI=1S/C13H12N2O/c14-11-8-6-10(7-9-11)13(16)15-12-4-2-1-3-5-12/h1-9H,14H2,(H,15,16)
InChIKey
QHWDUJPWCGEBTH-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)C(=O)Nc1ccccc1
Isomeric Smiles
C(=O)(Nc1ccccc1)c1ccc(N)cc1
Calculated Properties
JChem
Acid pKa
12.641852
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.2351384
LogD (pH = 7.4)
2.236189
Log P
2.2362046
Molar Refractivity
66.2919
Polarizability
24.08282
Polar Surface Area
55.12
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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