Molecule
ID:74286
General Information
Molecular Formula
C₆Cl₅SZn---
Molecular Mass
346.7742
Exact Mass
342.7454764
Charge
-3
InChI
InChI=1S/C6HCl5S.Zn/c7-1-2(8)4(10)6(12)5(11)3(1)9;/h12H;/q;-2/p-1
InChIKey
TWIZJSFFGJAJPH-UHFFFAOYSA-M
Canonic Smiles
Clc1c([S-])c(Cl)c(c(c1Cl)Cl)Cl.[Zn-2]
Isomeric Smiles
[S-]c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl.[Zn-2]
Calculated Properties
JChem
Acid pKa
3.8479412
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.8535013
LogD (pH = 7.4)
3.663553
Log P
5.0866766
Molar Refractivity
55.2541
Polarizability
23.333448
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
false
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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