Molecule

ID:23403

General Information
Structure
Molecular Formula
C₁₅H₁₆N₂O₂
Molecular Mass
256.29974
Exact Mass
256.12117776
Charge
0
InChI
InChI=1S/C15H16N2O2/c1-2-19-14-9-7-13(8-10-14)17-15(18)11-3-5-12(16)6-4-11/h3-10H,2,16H2,1H3,(H,17,18)
InChIKey
WNXZDXDCJNQWQN-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(cc1)NC(=O)c1ccc(cc1)N
Isomeric Smiles
C(=O)(Nc1ccc(cc1)OCC)c1ccc(N)cc1
Calculated Properties
JChem
Acid pKa
12.436974
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.4344184
LogD (pH = 7.4)
2.4353259
Log P
2.4353414
Molar Refractivity
77.5037
Polarizability
28.432665
Polar Surface Area
64.35
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
Molecule Details
References
Bioactivity
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