Molecule

ID:101311

General Information
Structure
MolImage
Molecular Formula
C₁₂H₉NO₂
Molecular Mass
199.20536
Exact Mass
199.06332853
Charge
0
InChI
InChI=1S/C12H9NO2/c1-9-7-11(13-8-14)12(15-9)10-5-3-2-4-6-10/h2-7H,1H3
InChIKey
GDLFJANXKGIZKA-UHFFFAOYSA-N
Canonic Smiles
O=C=Nc1cc(oc1c1ccccc1)C
Isomeric Smiles
c1(c(oc(c1)C)c1ccccc1)N=C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.7898347
LogD (pH = 7.4)
2.7898347
Log P
2.7898347
Molar Refractivity
57.8068
Polarizability
22.225637
Polar Surface Area
42.57
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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