Molecule

ID:46510

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈ClNO
Molecular Mass
227.73042
Exact Mass
227.10769188
Charge
0
InChI
InChI=1S/C12H17NO.ClH/c1-10-4-2-3-5-12(10)14-9-11-6-7-13-8-11;/h2-5,11,13H,6-9H2,1H3;1H
InChIKey
XWBJFECQMCCVPC-UHFFFAOYSA-N
Canonic Smiles
Cc1ccccc1OCC1CNCC1.Cl
Isomeric Smiles
N1CC(COc2c(C)cccc2)CC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.2092302
LogD (pH = 7.4)
-1.0506202
Log P
2.030343
Molar Refractivity
57.837
Polarizability
22.7926
Polar Surface Area
21.26
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
暂无数据
点击上传数据
References
Bioactivity
Navigation