Molecule

ID:82391

General Information
Structure
MolImage
Molecular Formula
C₇H₃Cl₃N₂O₂S₂
Molecular Mass
317.59992
Exact Mass
315.87015239
Charge
0
InChI
InChI=1S/C7H3Cl3N2O2S2/c8-4-1-2-5(15-4)16(13,14)12-3-11-6(9)7(12)10/h1-3H
InChIKey
HVNNIGHEEYCEBE-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(s1)S(=O)(=O)n1cnc(c1Cl)Cl
Isomeric Smiles
n1(S(=O)(=O)c2ccc(s2)Cl)c(c(Cl)nc1)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.6439013
LogD (pH = 7.4)
2.6439054
Log P
2.6439056
Molar Refractivity
62.9355
Polarizability
25.764917
Polar Surface Area
51.96
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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