Molecule
ID:119402
General Information
Molecular Formula
C₁₅H₁₁NO₂
Molecular Mass
237.25334
Exact Mass
237.0789786
Charge
0
InChI
InChI=1S/C15H11NO2/c16-12-6-3-5-10(8-12)13-9-11-4-1-2-7-14(11)18-15(13)17/h1-9H,16H2
InChIKey
RHAQPESVLRVQJU-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)c1cc2ccccc2oc1=O
Isomeric Smiles
c1(c(=O)oc2c(c1)cccc2)c1cc(N)ccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.6164875
LogD (pH = 7.4)
2.6224449
Log P
2.6225214
Molar Refractivity
70.7011
Polarizability
26.501663
Polar Surface Area
52.32
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
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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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