Molecule

ID:55617

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀Cl₂N₂S
Molecular Mass
201.1173
Exact Mass
199.99417469
Charge
0
InChI
InChI=1S/C5H8N2S.2ClH/c1-4-3-7-5(2-6)8-4;;/h3H,2,6H2,1H3;2*1H
InChIKey
GFEBIKMPQVAQOC-UHFFFAOYSA-N
Canonic Smiles
NCc1ncc(s1)C.Cl.Cl
Isomeric Smiles
n1c(sc(c1)C)CN.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.8954135
LogD (pH = 7.4)
-0.20103328
Log P
0.4768343
Molar Refractivity
34.1231
Polarizability
13.23909
Polar Surface Area
38.91
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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