Molecule

ID:45696

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃NO₂
Molecular Mass
191.22642
Exact Mass
191.09462866
Charge
0
InChI
InChI=1S/C11H13NO2/c13-11(14-10-7-12-8-10)6-9-4-2-1-3-5-9/h1-5,10,12H,6-8H2
InChIKey
WMXQZZAXUAHASG-UHFFFAOYSA-N
Canonic Smiles
O=C(Cc1ccccc1)OC1CNC1
Isomeric Smiles
C(=O)(OC1CNC1)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.4321426
LogD (pH = 7.4)
0.27397832
Log P
1.2807269
Molar Refractivity
52.5603
Polarizability
21.094175
Polar Surface Area
38.33
Rotatable Bonds
4
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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