Molecule

ID:60737

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆N₂O₂
Molecular Mass
256.29974
Exact Mass
256.12117776
Charge
0
InChI
InChI=1S/C15H16N2O2/c1-19-12-8-6-11(7-9-12)10-17-15(18)13-4-2-3-5-14(13)16/h2-9H,10,16H2,1H3,(H,17,18)
InChIKey
YAGHGODWSGIUCA-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)CNC(=O)c1ccccc1N
Isomeric Smiles
c1(C(=O)NCc2ccc(cc2)OC)c(N)cccc1
Calculated Properties
JChem
Acid pKa
15.409363
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.4347079
LogD (pH = 7.4)
2.4354289
Log P
2.4354382
Molar Refractivity
75.8093
Polarizability
28.249655
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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