Molecule

ID:14411

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆ClNO₂
Molecular Mass
229.70324
Exact Mass
229.08695644
Charge
0
InChI
InChI=1S/C11H15NO2.ClH/c1-8(12-2)9-3-4-10-11(7-9)14-6-5-13-10;/h3-4,7-8,12H,5-6H2,1-2H3;1H
InChIKey
GVLJHZRORICYNE-UHFFFAOYSA-N
Canonic Smiles
CNC(c1ccc2c(c1)OCCO2)C.Cl
Isomeric Smiles
c12c(ccc(c1)C(NC)C)OCCO2.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.7137653
LogD (pH = 7.4)
-0.6302118
Log P
1.4613022
Molar Refractivity
54.6822
Polarizability
21.6803
Polar Surface Area
30.49
Rotatable Bonds
2
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
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References
Bioactivity
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