Molecule

ID:124100

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆ClNO₂
Molecular Mass
229.70324
Exact Mass
229.08695644
Charge
0
InChI
InChI=1S/C11H15NO2.ClH/c1-12(8-7-11(13)14)9-10-5-3-2-4-6-10;/h2-6H,7-9H2,1H3,(H,13,14);1H
InChIKey
UZHZTJUXOLBUPW-UHFFFAOYSA-N
Canonic Smiles
CN(Cc1ccccc1)CCC(=O)O.Cl
Isomeric Smiles
C(=O)(CCN(Cc1ccccc1)C)O.Cl
Calculated Properties
JChem
Acid pKa
3.8229473
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.1047453
LogD (pH = 7.4)
-1.1023072
Log P
-1.0994288
Molar Refractivity
55.3847
Polarizability
21.567545
Polar Surface Area
40.54
Rotatable Bonds
5
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
暂无数据
点击上传数据
References
Bioactivity
Navigation