Molecule

ID:64375

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆ClNO₂
Molecular Mass
229.70324
Exact Mass
229.08695644
Charge
0
InChI
InChI=1S/C11H15NO2.ClH/c1-2-14-11(13)7-9-3-5-10(8-12)6-4-9;/h3-6H,2,7-8,12H2,1H3;1H
InChIKey
SSXOEPBHTWEJLZ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)Cc1ccc(cc1)CN.Cl
Isomeric Smiles
C(=O)(OCC)Cc1ccc(cc1)CN.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.7485771
LogD (pH = 7.4)
-0.81053144
Log P
1.2394645
Molar Refractivity
55.3567
Polarizability
21.81916
Polar Surface Area
52.32
Rotatable Bonds
5
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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