Molecule

ID:74545

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₃NO
Molecular Mass
235.28052
Exact Mass
235.09971404
Charge
0
InChI
InChI=1S/C16H13NO/c1-17-15-10-6-5-9-13(15)14(11-18)16(17)12-7-3-2-4-8-12/h2-11H,1H3
InChIKey
YJOWMBICANYBLV-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(c2ccccc2)n(c2c1cccc2)C
Isomeric Smiles
n1(c2c(cccc2)c(c1c1ccccc1)C=O)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.5754128
LogD (pH = 7.4)
3.5754128
Log P
3.5754128
Molar Refractivity
73.6389
Polarizability
30.327023
Polar Surface Area
22.0
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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