Molecule
ID:121531
General Information
Molecular Formula
C₁₅H₁₁NO
Molecular Mass
221.25394
Exact Mass
221.08406398
Charge
0
InChI
InChI=1S/C15H11NO/c17-15(13-7-2-1-3-8-13)16-11-10-12-6-4-5-9-14(12)16/h1-11H
InChIKey
DIQDUFVJZPNLJQ-UHFFFAOYSA-N
Canonic Smiles
O=C(n1ccc2c1cccc2)c1ccccc1
Isomeric Smiles
n1(C(=O)c2ccccc2)ccc2c1cccc2
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.2459915
LogD (pH = 7.4)
3.2459915
Log P
3.2459915
Molar Refractivity
67.0853
Polarizability
27.087437
Polar Surface Area
22.0
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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