Molecule

ID:16467

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁NO₂
Molecular Mass
189.21054
Exact Mass
189.0789786
Charge
0
InChI
InChI=1S/C11H11NO2/c1-8-6-9-4-2-3-5-10(9)12(8)7-11(13)14/h2-6H,7H2,1H3,(H,13,14)
InChIKey
MGICLRNAZXDKAT-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cn1c(C)cc2c1cccc2
Isomeric Smiles
c12n(c(cc1cccc2)C)CC(=O)O
Calculated Properties
JChem
Acid pKa
4.5438533
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.9726728
LogD (pH = 7.4)
-0.79995996
Log P
1.9732285
Molar Refractivity
53.2755
Polarizability
21.487537
Polar Surface Area
42.23
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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