Molecule

ID:64099

General Information
Structure
Molecular Formula
C₅H₇Cl₂NS
Molecular Mass
184.08678
Exact Mass
182.96762559
Charge
0
InChI
InChI=1S/C5H6ClNS.ClH/c1-4-7-5(2-6)3-8-4;/h3H,2H2,1H3;1H
InChIKey
YGKDISJLDVGNOR-UHFFFAOYSA-N
Canonic Smiles
Cc1nc(cs1)CCl.Cl
Isomeric Smiles
n1c(csc1C)CCl.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.4228355
LogD (pH = 7.4)
1.4238049
Log P
1.4238173
Molar Refractivity
35.0518
Polarizability
13.589625
Polar Surface Area
12.89
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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