Molecule

ID:121174

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀Cl₂N₂S
Molecular Mass
201.1173
Exact Mass
199.99417469
Charge
0
InChI
InChI=1S/C5H8N2S.2ClH/c1-4-7-5(2-6)3-8-4;;/h3H,2,6H2,1H3;2*1H
InChIKey
BWVNSRUBFMCHKB-UHFFFAOYSA-N
Canonic Smiles
NCc1csc(n1)C.Cl.Cl
Isomeric Smiles
n1c(csc1C)CN.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.6272247
LogD (pH = 7.4)
-0.970441
Log P
-0.03765635
Molar Refractivity
33.6583
Polarizability
13.235427
Polar Surface Area
38.91
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
References
Bioactivity
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