Molecule

ID:126061

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆N₂O
Molecular Mass
240.30034
Exact Mass
240.12626314
Charge
0
InChI
InChI=1S/C15H16N2O/c1-12(13-8-4-2-5-9-13)16-17-15(18)14-10-6-3-7-11-14/h2-12,16H,1H3,(H,17,18)
InChIKey
BEWNZPMDJIGBED-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccccc1)NNC(=O)c1ccccc1
Isomeric Smiles
O=C(NNC(c1ccccc1)C)c1ccccc1
Calculated Properties
JChem
Acid pKa
14.466033
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.88663
LogD (pH = 7.4)
2.8920648
Log P
2.8921347
Molar Refractivity
82.9794
Polarizability
27.876245
Polar Surface Area
41.13
Rotatable Bonds
4
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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