Molecule

ID:18473

General Information
Structure
MolImage
Molecular Formula
C₆Cl₇N
Molecular Mass
334.2419
Exact Mass
330.78504277
Charge
0
InChI
InChI=1S/C6Cl7N/c7-1-2(8)4(6(11,12)13)14-5(10)3(1)9
InChIKey
YMBFWRZKTZICHS-UHFFFAOYSA-N
Canonic Smiles
Clc1nc(c(c(c1Cl)Cl)Cl)C(Cl)(Cl)Cl
Isomeric Smiles
c1(c(c(c(c(n1)Cl)Cl)Cl)Cl)C(Cl)(Cl)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.2756877
LogD (pH = 7.4)
5.2756877
Log P
5.2756877
Molar Refractivity
64.2877
Polarizability
25.026188
Polar Surface Area
12.89
Rotatable Bonds
1
Lipinski's Rule of Five
false
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