Molecule

ID:32477

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆N₂O₂
Molecular Mass
256.29974
Exact Mass
256.12117776
Charge
0
InChI
InChI=1S/C15H16N2O2/c1-11-13(9-16-10-14(11)19-3)15(18)17(2)12-7-5-4-6-8-12/h4-10H,1-3H3
InChIKey
QMQINRHRYARUDT-UHFFFAOYSA-N
Canonic Smiles
COc1cncc(c1C)C(=O)N(c1ccccc1)C
Isomeric Smiles
c1(cncc(c1C)C(=O)N(C)c1ccccc1)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.0414746
LogD (pH = 7.4)
2.0669374
Log P
2.0672743
Molar Refractivity
74.0549
Polarizability
28.162308
Polar Surface Area
42.43
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
No Data Available
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Molecule Details
References
Bioactivity
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