Molecule

ID:13814

General Information
Structure
MolImage
Molecular Formula
C₄H₅Cl₂NS
Molecular Mass
170.0602
Exact Mass
168.95197553
Charge
0
InChI
InChI=1S/C4H4ClNS.ClH/c5-1-4-2-7-3-6-4;/h2-3H,1H2;1H
InChIKey
NVTBASMQHFMANH-UHFFFAOYSA-N
Canonic Smiles
ClCc1cscn1.Cl
Isomeric Smiles
c1(ncsc1)CCl.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.300609
LogD (pH = 7.4)
1.3007507
Log P
1.3007525
Molar Refractivity
30.6111
Polarizability
11.847321
Polar Surface Area
12.89
Rotatable Bonds
1
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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