Molecule

ID:45441

General Information
Structure
Molecular Formula
C₁₅H₁₆N₂O₂
Molecular Mass
256.29974
Exact Mass
256.12117776
Charge
0
InChI
InChI=1S/C15H16N2O2/c1-10-8-12(16)6-7-14(10)17-15(18)11-4-3-5-13(9-11)19-2/h3-9H,16H2,1-2H3,(H,17,18)
InChIKey
QHVNZBCRRXCUBA-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)C(=O)Nc1ccc(cc1C)N
Isomeric Smiles
C(=O)(Nc1c(cc(N)cc1)C)c1cc(OC)ccc1
Calculated Properties
JChem
Acid pKa
12.636423
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.578435
LogD (pH = 7.4)
2.5917795
Log P
2.5919547
Molar Refractivity
77.7963
Polarizability
28.35624
Polar Surface Area
64.35
Rotatable Bonds
3
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
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Molecule Details
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References
Bioactivity
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