Molecule

ID:39889

General Information
Structure
Molecular Formula
C₁₂H₉NO₂
Molecular Mass
199.20536
Exact Mass
199.06332853
Charge
0
InChI
InChI=1S/C12H9NO2/c14-9-10-6-7-12(13-8-10)15-11-4-2-1-3-5-11/h1-9H
InChIKey
SOPOQXNWJNVZMI-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(nc1)Oc1ccccc1
Isomeric Smiles
n1c(Oc2ccccc2)ccc(c1)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.5628147
LogD (pH = 7.4)
2.5628204
Log P
2.5628204
Molar Refractivity
57.0394
Polarizability
21.653793
Polar Surface Area
39.19
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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