Molecule

ID:14486

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆N₂O₂
Molecular Mass
256.29974
Exact Mass
256.12117776
Charge
0
InChI
InChI=1S/C15H16N2O2/c1-11-2-3-14-12(8-11)9-13(10-18)15(16-14)17-4-6-19-7-5-17/h2-3,8-10H,4-7H2,1H3
InChIKey
YYMBTTGOVAITPC-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc2cc(C)ccc2nc1N1CCOCC1
Isomeric Smiles
c1(c(cc2c(n1)ccc(c2)C)C=O)N1CCOCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.754855
LogD (pH = 7.4)
2.8396263
Log P
2.840825
Molar Refractivity
75.4211
Polarizability
29.071518
Polar Surface Area
42.43
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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