Molecule

ID:77019

General Information
Structure
Molecular Formula
C₁₅H₁₄N₂O₂
Molecular Mass
254.28386
Exact Mass
254.1055277
Charge
0
InChI
InChI=1S/C15H14N2O2/c16-12-7-4-8-13-15(12)19-10-14(18)17(13)9-11-5-2-1-3-6-11/h1-8H,9-10,16H2
InChIKey
ZKZYPCLZENJCJQ-UHFFFAOYSA-N
Canonic Smiles
O=C1COc2c(N1Cc1ccccc1)cccc2N
Isomeric Smiles
N1(c2cccc(c2OCC1=O)N)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.5031767
LogD (pH = 7.4)
1.5140862
Log P
1.5142272
Molar Refractivity
73.254
Polarizability
27.727543
Polar Surface Area
55.56
Rotatable Bonds
2
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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