Molecule

ID:34091

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁NO₂
Molecular Mass
189.21054
Exact Mass
189.0789786
Charge
0
InChI
InChI=1S/C11H11NO2/c1-7-4-3-5-8-6-9(11(13)14)12(2)10(7)8/h3-6H,1-2H3,(H,13,14)
InChIKey
IORFLRMMPCRQJM-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc2c(n1C)c(C)ccc2
Isomeric Smiles
n1(c(cc2c1c(ccc2)C)C(=O)O)C
Calculated Properties
JChem
Acid pKa
3.4050875
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.30398098
LogD (pH = 7.4)
-1.0149349
Log P
2.3866892
Molar Refractivity
54.2161
Polarizability
21.392572
Polar Surface Area
42.23
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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