Molecule

ID:128227

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃NO₂
Molecular Mass
191.22642
Exact Mass
191.09462866
Charge
0
InChI
InChI=1S/C11H13NO2/c12-9-2-1-7-4-10-11(14-6-13-10)5-8(7)3-9/h4-5,9H,1-3,6,12H2
InChIKey
AWSBQWZZLBPUQH-UHFFFAOYSA-N
Canonic Smiles
NC1CCc2c(C1)cc1c(c2)OCO1
Isomeric Smiles
C1Cc2cc3OCOc3cc2CC1N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.464312
LogD (pH = 7.4)
-0.9296541
Log P
1.5551332
Molar Refractivity
52.6341
Polarizability
20.79668
Polar Surface Area
44.48
Rotatable Bonds
0
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
No Data Available
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Molecule Details
References
Bioactivity
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