Molecule

ID:57667

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₂N₂O
Molecular Mass
212.24718
Exact Mass
212.09496301
Charge
0
InChI
InChI=1S/C13H12N2O/c14-12-9-5-4-8-11(12)13(16)15-10-6-2-1-3-7-10/h1-9H,14H2,(H,15,16)
InChIKey
FDPVTENMNDHFNK-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1N)Nc1ccccc1
Isomeric Smiles
c1cc(c(cc1)C(=O)Nc1ccccc1)N
Calculated Properties
JChem
Acid pKa
14.527945
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.8858874
LogD (pH = 7.4)
2.8862007
Log P
2.8862047
Molar Refractivity
66.2919
Polarizability
24.084742
Polar Surface Area
55.12
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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