Molecule

ID:63240

General Information
Structure
MolImage
Molecular Formula
C₇H₄Cl₂N₂S
Molecular Mass
219.09106
Exact Mass
217.9472245
Charge
0
InChI
InChI=1S/C7H4Cl2N2S/c1-3-2-4-5(12-3)6(8)11-7(9)10-4/h2H,1H3
InChIKey
ZDKZDOFEASCBMV-UHFFFAOYSA-N
Canonic Smiles
Clc1nc2cc(sc2c(n1)Cl)C
Isomeric Smiles
c1(nc(nc2cc(sc12)C)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.6902435
LogD (pH = 7.4)
3.6902435
Log P
3.6902435
Molar Refractivity
52.1114
Polarizability
20.488705
Polar Surface Area
25.78
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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