Molecule

ID:102038

General Information
Structure
MolImage
Molecular Formula
C₇H₉Cl₂N
Molecular Mass
178.05906
Exact Mass
177.01120465
Charge
0
InChI
InChI=1S/C7H8ClN.ClH/c1-6-7(5-8)3-2-4-9-6;/h2-4H,5H2,1H3;1H
InChIKey
IVKFTPSEDAPSSI-UHFFFAOYSA-N
Canonic Smiles
ClCc1cccnc1C.Cl
Isomeric Smiles
c1cnc(c(c1)CCl)C.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.1517348
LogD (pH = 7.4)
1.4679601
Log P
1.4741857
Molar Refractivity
38.3595
Polarizability
14.848539
Polar Surface Area
12.89
Rotatable Bonds
1
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