Molecule

ID:26177

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₅NO
Molecular Mass
249.3071
Exact Mass
249.11536411
Charge
0
InChI
InChI=1S/C17H15NO/c1-13-5-4-6-14(9-13)10-18-11-15(12-19)16-7-2-3-8-17(16)18/h2-9,11-12H,10H2,1H3
InChIKey
GRXZPUPSNRQSLN-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cn(c2c1cccc2)Cc1cccc(c1)C
Isomeric Smiles
n1(cc(c2c1cccc2)C=O)Cc1cc(ccc1)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.246081
LogD (pH = 7.4)
4.246081
Log P
4.246081
Molar Refractivity
78.279
Polarizability
30.645472
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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