Molecule

ID:34051

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₃NO
Molecular Mass
235.28052
Exact Mass
235.09971404
Charge
0
InChI
InChI=1S/C16H13NO/c18-12-14-6-7-16-15(10-14)8-9-17(16)11-13-4-2-1-3-5-13/h1-10,12H,11H2
InChIKey
UGAFQBZJAVJZOV-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc2c(c1)ccn2Cc1ccccc1
Isomeric Smiles
c1(ccc2c(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
28.873877
Polar Surface Area
22.0
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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