Molecule

ID:64954

General Information
Structure
MolImage
Molecular Formula
C₇H₃Cl₂N₃
Molecular Mass
200.02482
Exact Mass
198.97040247
Charge
0
InChI
InChI=1S/C7H3Cl2N3/c8-5-2-1-4-6(12-5)7(9)11-3-10-4/h1-3H
InChIKey
FCNJEINFWXOLQY-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2c(n1)c(Cl)ncn2
Isomeric Smiles
n1cnc2c(c1Cl)nc(cc2)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.2415552
LogD (pH = 7.4)
2.2416825
Log P
2.2416842
Molar Refractivity
48.0038
Polarizability
19.080965
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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