Molecule

ID:31985

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂ClN₃S
Molecular Mass
193.69758
Exact Mass
193.04404608
Charge
0
InChI
InChI=1S/C6H11N3S.ClH/c1-4(2)6-5(3-7)10-9-8-6;/h4H,3,7H2,1-2H3;1H
InChIKey
WIJBHVRSRLAKSK-UHFFFAOYSA-N
Canonic Smiles
NCc1snnc1C(C)C.Cl
Isomeric Smiles
c1(c(snn1)CN)C(C)C.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.0432079
LogD (pH = 7.4)
0.64218205
Log P
1.1950836
Molar Refractivity
42.4064
Polarizability
16.08377
Polar Surface Area
51.8
Rotatable Bonds
2
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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