Molecule

ID:64198

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄Cl₂N₂S
Molecular Mass
229.17046
Exact Mass
228.02547482
Charge
0
InChI
InChI=1S/C7H12N2S.2ClH/c1-5(2)7-9-6(3-8)4-10-7;;/h4-5H,3,8H2,1-2H3;2*1H
InChIKey
FFYQRDDCOHMJTM-UHFFFAOYSA-N
Canonic Smiles
NCc1csc(n1)C(C)C.Cl.Cl
Isomeric Smiles
n1c(scc1CN)C(C)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.3790581
LogD (pH = 7.4)
0.27942643
Log P
1.2058657
Molar Refractivity
42.8597
Polarizability
16.909742
Polar Surface Area
38.91
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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