Molecule

ID:78216

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃NO
Molecular Mass
223.26982
Exact Mass
223.09971404
Charge
0
InChI
InChI=1S/C15H13NO/c1-2-16-14-6-4-3-5-12(14)13-9-11(10-17)7-8-15(13)16/h3-10H,2H2,1H3
InChIKey
QGJXVBICNCIWEL-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc2c(c1)c1ccccc1n2CC
Isomeric Smiles
n1(c2c(cccc2)c2c1ccc(c2)C=O)CC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.383872
LogD (pH = 7.4)
3.383872
Log P
3.383872
Molar Refractivity
69.7015
Polarizability
28.695702
Polar Surface Area
22.0
Rotatable Bonds
2
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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