Molecule

ID:120243

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁NO₂
Molecular Mass
189.21054
Exact Mass
189.0789786
Charge
0
InChI
InChI=1S/C11H11NO2/c1-12-6-5-11(13)9-7-8(14-2)3-4-10(9)12/h3-7H,1-2H3
InChIKey
CPCYXHAGDYVVMK-UHFFFAOYSA-N
Canonic Smiles
COc1ccc2c(c1)c(=O)ccn2C
Isomeric Smiles
c12c(n(ccc1=O)C)ccc(c2)OC
Calculated Properties
JChem
Acid pKa
16.614271
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.6278229
LogD (pH = 7.4)
1.6281865
Log P
1.6281911
Molar Refractivity
55.7167
Polarizability
20.426195
Polar Surface Area
29.54
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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