Molecule

ID:22720

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₂N₂O
Molecular Mass
212.24718
Exact Mass
212.09496301
Charge
0
InChI
InChI=1S/C13H12N2O/c14-11-6-8-12(9-7-11)15-13(16)10-4-2-1-3-5-10/h1-9H,14H2,(H,15,16)
InChIKey
GTTFJYUWPUKXJH-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)NC(=O)c1ccccc1
Isomeric Smiles
C(=O)(Nc1ccc(N)cc1)c1ccccc1
Calculated Properties
JChem
Acid pKa
14.724007
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.225902
LogD (pH = 7.4)
2.2360735
Log P
2.2362046
Molar Refractivity
66.2919
Polarizability
24.082396
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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