Molecule

ID:34089

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁NO₂
Molecular Mass
189.21054
Exact Mass
189.0789786
Charge
0
InChI
InChI=1S/C11H11NO2/c1-7-8-5-3-4-6-9(8)12(2)10(7)11(13)14/h3-6H,1-2H3,(H,13,14)
InChIKey
GUAVXCSZSKSTBL-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1c(C)c2c(n1C)cccc2
Isomeric Smiles
n1(c(c(c2c1cccc2)C)C(=O)O)C
Calculated Properties
JChem
Acid pKa
3.236664
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.14390771
LogD (pH = 7.4)
-1.0520761
Log P
2.3866892
Molar Refractivity
54.2161
Polarizability
21.392818
Polar Surface Area
42.23
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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