Molecule

ID:46953

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁Cl₂NO
Molecular Mass
290.22864
Exact Mass
289.10001966
Charge
0
InChI
InChI=1S/C14H20ClNO.ClH/c1-10-6-11(2)14(13(15)7-10)17-9-12-4-3-5-16-8-12;/h6-7,12,16H,3-5,8-9H2,1-2H3;1H
InChIKey
QKOSXSWNZHDWJQ-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(C)c(c(c1)Cl)OCC1CCCNC1.Cl
Isomeric Smiles
c1(c(cc(cc1C)C)Cl)OCC1CNCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.3704905
LogD (pH = 7.4)
1.0280781
Log P
3.5923777
Molar Refractivity
72.284
Polarizability
28.261744
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