Molecule

ID:5140

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₂N₂O
Molecular Mass
212.24718
Exact Mass
212.09496301
Charge
0
InChI
InChI=1S/C13H12N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15,16)
InChIKey
GWEHVDNNLFDJLR-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1ccccc1)Nc1ccccc1
Isomeric Smiles
N(C(=O)Nc1ccccc1)c1ccccc1
Calculated Properties
JChem
LogD (pH = 7.4)
3.12
LogD (pH = 5.5)
3.12
Log P
3.12
Rotatable Bonds
2
H Donor
2
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
11.53
Polar Surface Area
41.13
Polarizability
23.05
Molar Refractivity
66.05
LOG S
-3.47
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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