Molecule

ID:34052

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₃NO
Molecular Mass
235.28052
Exact Mass
235.09971404
Charge
0
InChI
InChI=1S/C16H13NO/c18-12-14-6-7-15-8-9-17(16(15)10-14)11-13-4-2-1-3-5-13/h1-10,12H,11H2
InChIKey
BNUVGGFDUDFBKA-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc2c(c1)n(cc2)Cc1ccccc1
Isomeric Smiles
c1c(cc2c(c1)ccn2Cc1ccccc1)C=O
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.7326593
LogD (pH = 7.4)
3.7326593
Log P
3.7326593
Molar Refractivity
73.2378
Polarizability
28.87639
Polar Surface Area
22.0
Rotatable Bonds
3
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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