Molecule

ID:55631

General Information
Structure
MolImage
Molecular Formula
C₅H₇Cl₂NS
Molecular Mass
184.08678
Exact Mass
182.96762559
Charge
0
InChI
InChI=1S/C5H6ClNS.ClH/c1-4-3-7-5(2-6)8-4;/h3H,2H2,1H3;1H
InChIKey
VDQSJGIIFVMVDO-UHFFFAOYSA-N
Canonic Smiles
Cc1cnc(s1)CCl.Cl
Isomeric Smiles
n1c(sc(c1)C)CCl.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.9374781
LogD (pH = 7.4)
1.9382975
Log P
1.938308
Molar Refractivity
35.5166
Polarizability
13.593461
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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