Molecule

ID:83236

General Information
Structure
Molecular Formula
C₁₆H₇Cl₄NOS₂
Molecular Mass
435.17488
Exact Mass
432.87231657
Charge
0
InChI
InChI=1S/C16H7Cl4NOS2/c17-9-5-2-1-4-8(9)13-12(15(20)21-24-13)16(22)23-14-10(18)6-3-7-11(14)19/h1-7H
InChIKey
QRZQXHZSFFIAPH-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(c1SC(=O)c1c(Cl)nsc1c1ccccc1Cl)Cl
Isomeric Smiles
s1c(c(C(=O)Sc2c(cccc2Cl)Cl)c(n1)Cl)c1c(cccc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
7.359136
LogD (pH = 7.4)
7.3591366
Log P
7.3591366
Molar Refractivity
105.446
Polarizability
41.31433
Polar Surface Area
29.96
Rotatable Bonds
4
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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