Molecule

ID:87882

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁NO₂
Molecular Mass
189.21054
Exact Mass
189.0789786
Charge
0
InChI
InChI=1S/C11H11NO2/c1-7-5-11(13)9-6-8(14-2)3-4-10(9)12-7/h3-6H,1-2H3,(H,12,13)
InChIKey
JEFIWGFOCYLOLA-UHFFFAOYSA-N
Canonic Smiles
COc1ccc2c(c1)c(O)cc(n2)C
Isomeric Smiles
n1c(cc(c2cc(ccc12)OC)O)C
Calculated Properties
JChem
Acid pKa
10.981744
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.7988791
LogD (pH = 7.4)
1.8008944
Log P
1.8010341
Molar Refractivity
53.0149
Polarizability
21.83636
Polar Surface Area
42.35
Rotatable Bonds
1
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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