Molecule

ID:114692

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁NO₂
Molecular Mass
237.25334
Exact Mass
237.0789786
Charge
0
InChI
InChI=1S/C15H11NO2/c16-12-7-5-10(6-8-12)15(17)14-9-11-3-1-2-4-13(11)18-14/h1-9H,16H2
InChIKey
OJWSCIAZIQBNQS-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)C(=O)c1cc2c(o1)cccc2
Isomeric Smiles
c1(oc2c(c1)cccc2)C(=O)c1ccc(N)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.6820881
LogD (pH = 7.4)
2.6827884
Log P
2.6827974
Molar Refractivity
70.0525
Polarizability
27.531734
Polar Surface Area
56.23
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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