Molecule

ID:65983

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₁NO₂
Molecular Mass
213.23194
Exact Mass
213.0789786
Charge
0
InChI
InChI=1S/C13H11NO2/c1-16-12-5-3-11(4-6-12)13-7-2-10(9-15)8-14-13/h2-9H,1H3
InChIKey
YZDVCIURBAJHKI-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)c1ccc(cn1)C=O
Isomeric Smiles
n1c(c2ccc(cc2)OC)ccc(c1)C=O
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.3404138
LogD (pH = 7.4)
2.3434415
Log P
2.34348
Molar Refractivity
61.7125
Polarizability
24.815258
Polar Surface Area
39.19
Rotatable Bonds
3
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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