Molecule

ID:40700

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₁NO₂
Molecular Mass
213.23194
Exact Mass
213.0789786
Charge
0
InChI
InChI=1S/C13H11NO2/c1-16-12-6-4-10(5-7-12)13-11(9-15)3-2-8-14-13/h2-9H,1H3
InChIKey
WMJFIXDFODEDNR-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)c1ncccc1C=O
Isomeric Smiles
c1(c(C=O)cccn1)c1ccc(cc1)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.3375084
LogD (pH = 7.4)
2.3434045
Log P
2.34348
Molar Refractivity
61.7125
Polarizability
24.81819
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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