Molecule

ID:58762

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁NO
Molecular Mass
221.25394
Exact Mass
221.08406398
Charge
0
InChI
InChI=1S/C15H11NO/c17-11-12-10-16(13-6-2-1-3-7-13)15-9-5-4-8-14(12)15/h1-11H
InChIKey
KCAGQLHYSPGZNH-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cn(c2c1cccc2)c1ccccc1
Isomeric Smiles
c1ccc2c(c1)n(cc2C=O)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.3319
LogD (pH = 7.4)
3.3319
Log P
3.3319
Molar Refractivity
78.7221
Polarizability
27.84468
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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