Molecule

ID:132240

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)5-9-3-4-10-11(6-9)14-7-13-10;/h3-4,6,8,12H,5,7H2,1-2H3;1H/t8-;/m0./s1
InChIKey
LUWHVONVCYWRMZ-QRPNPIFTSA-N
Canonic Smiles
CN[C@H](Cc1ccc2c(c1)OCO2)C.Cl
Isomeric Smiles
C[C@@H](Cc1ccc2c(c1)OCO2)NC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.3648726
LogD (pH = 7.4)
-0.76064247
Log P
1.8600644
Molar Refractivity
54.2467
Polarizability
21.603132
Polar Surface Area
30.49
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation