Molecule

ID:55512

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃Cl₂N
Molecular Mass
218.12292
Exact Mass
217.04250478
Charge
0
InChI
InChI=1S/C10H12ClN.ClH/c11-9-4-2-1-3-8(9)7-10(12)5-6-10;/h1-4H,5-7,12H2;1H
InChIKey
DDINWRVLWKQGMJ-UHFFFAOYSA-N
Canonic Smiles
Clc1ccccc1CC1(N)CC1.Cl
Isomeric Smiles
C1CC1(N)Cc1ccccc1Cl.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.62896824
LogD (pH = 7.4)
0.073959254
Log P
2.3810534
Molar Refractivity
51.192
Polarizability
20.275642
Polar Surface Area
26.02
Rotatable Bonds
2
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