Molecule

ID:76960

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄N₂O₂
Molecular Mass
254.28386
Exact Mass
254.1055277
Charge
0
InChI
InChI=1S/C15H14N2O2/c16-12-6-7-13-14(8-12)19-10-15(18)17(13)9-11-4-2-1-3-5-11/h1-8H,9-10,16H2
InChIKey
ATYMITKZSYPNBC-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(c1)OCC(=O)N2Cc1ccccc1
Isomeric Smiles
N1(c2ccc(cc2OCC1=O)N)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.509935
LogD (pH = 7.4)
1.5141729
Log P
1.5142272
Molar Refractivity
73.254
Polarizability
27.725529
Polar Surface Area
55.56
Rotatable Bonds
2
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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