Molecule

ID:22657

General Information
Structure
Molecular Formula
C₁₅H₁₆N₂O₂
Molecular Mass
256.29974
Exact Mass
256.12117776
Charge
0
InChI
InChI=1S/C15H16N2O2/c1-2-19-14-9-4-3-8-13(14)15(18)17-12-7-5-6-11(16)10-12/h3-10H,2,16H2,1H3,(H,17,18)
InChIKey
OQNSFOGEIFNZCI-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccccc1C(=O)Nc1cccc(c1)N
Isomeric Smiles
C(=O)(c1c(OCC)cccc1)Nc1cc(N)ccc1
Calculated Properties
JChem
Acid pKa
12.5081005
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.426997
LogD (pH = 7.4)
2.435232
Log P
2.4353414
Molar Refractivity
77.5037
Polarizability
28.43639
Polar Surface Area
64.35
Rotatable Bonds
4
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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