Molecule

ID:86332

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈N₂O₂
Molecular Mass
258.31562
Exact Mass
258.13682783
Charge
0
InChI
InChI=1S/C15H18N2O2/c1-4-19-15(18)14-9-11(2)17(12(14)3)10-13-5-7-16-8-6-13/h5-9H,4,10H2,1-3H3
InChIKey
TXRQXFLJMCNBHI-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cc(n(c1C)Cc1ccncc1)C
Isomeric Smiles
n1(c(c(cc1C)C(=O)OCC)C)Cc1ccncc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.2677872
LogD (pH = 7.4)
2.5376685
Log P
2.5430143
Molar Refractivity
75.2425
Polarizability
28.283915
Polar Surface Area
44.12
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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