Molecule

ID:15629

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁NO₂
Molecular Mass
189.21054
Exact Mass
189.0789786
Charge
0
InChI
InChI=1S/C11H11NO2/c1-12-9(7-13)6-8-4-3-5-10(14-2)11(8)12/h3-7H,1-2H3
InChIKey
MTKITSNNLHSBSM-UHFFFAOYSA-N
Canonic Smiles
COc1cccc2c1n(C)c(c2)C=O
Isomeric Smiles
c1ccc2c(c1OC)n(c(c2)C=O)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.770516
LogD (pH = 7.4)
1.770516
Log P
1.770516
Molar Refractivity
54.9659
Polarizability
21.72499
Polar Surface Area
31.23
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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