Molecule

ID:34240

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆N₂O₂
Molecular Mass
256.29974
Exact Mass
256.12117776
Charge
0
InChI
InChI=1S/C15H16N2O2/c1-18-12-4-5-15-14(7-12)11(9-17-15)8-16-10-13-3-2-6-19-13/h2-7,9,16-17H,8,10H2,1H3
InChIKey
VDLWWURNDWEWLO-UHFFFAOYSA-N
Canonic Smiles
COc1ccc2c(c1)c(CNCc1ccco1)c[nH]2
Isomeric Smiles
c1(c2c([nH]c1)ccc(c2)OC)CNCc1occc1
Calculated Properties
JChem
Acid pKa
16.304388
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.19767237
LogD (pH = 7.4)
1.5361967
Log P
2.257405
Molar Refractivity
73.8592
Polarizability
29.727737
Polar Surface Area
50.19
Rotatable Bonds
5
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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