Molecule

ID:63368

General Information
Structure
MolImage
Molecular Formula
C₇H₃Cl₂N₃
Molecular Mass
200.02482
Exact Mass
198.97040247
Charge
0
InChI
InChI=1S/C7H3Cl2N3/c8-5-4-2-1-3-10-6(4)12-7(9)11-5/h1-3H
InChIKey
QSNSZGYDLUPWSV-UHFFFAOYSA-N
Canonic Smiles
Clc1nc2ncccc2c(n1)Cl
Isomeric Smiles
n1c(nc2c(c1Cl)cccn2)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.2651668
LogD (pH = 7.4)
2.2651668
Log P
2.2651668
Molar Refractivity
49.5811
Polarizability
18.495518
Polar Surface Area
38.67
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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