Molecule

ID:36029

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₅NO₂
Molecular Mass
265.3065
Exact Mass
265.11027873
Charge
0
InChI
InChI=1S/C17H15NO2/c1-20-15-7-8-16-14(12-19)11-18(17(16)9-15)10-13-5-3-2-4-6-13/h2-9,11-12H,10H2,1H3
InChIKey
TVYIIRJYNWCYPV-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cn(c2c1ccc(c2)OC)Cc1ccccc1
Isomeric Smiles
c1c(cc2n(cc(c2c1)C=O)Cc1ccccc1)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.5749881
LogD (pH = 7.4)
3.5749881
Log P
3.5749881
Molar Refractivity
79.701
Polarizability
31.34836
Polar Surface Area
31.23
Rotatable Bonds
4
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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