Molecule

ID:84498

General Information
Structure
MolImage
Molecular Formula
C₁₂H₇Cl₃N₂
Molecular Mass
285.55638
Exact Mass
283.96748127
Charge
0
InChI
InChI=1S/C12H7Cl3N2/c13-9-1-3-10(4-2-9)16-7-8-5-11(14)17-12(15)6-8/h1-7H
InChIKey
TZWXHSROSPFTIX-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)/N=C/c1cc(Cl)nc(c1)Cl
Isomeric Smiles
n1c(cc(cc1Cl)/C=N/c1ccc(cc1)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.8822756
LogD (pH = 7.4)
4.8823223
Log P
4.882323
Molar Refractivity
75.7677
Polarizability
27.333523
Polar Surface Area
25.25
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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