Molecule

ID:34232

General Information
Structure
MolImage
Molecular Formula
C₇H₁₁ClN₂S
Molecular Mass
190.69364
Exact Mass
190.03314704
Charge
0
InChI
InChI=1S/C7H11ClN2S/c1-10(2)4-7-9-6(3-8)5-11-7/h5H,3-4H2,1-2H3
InChIKey
BUDMJAMXOTXJAA-UHFFFAOYSA-N
Canonic Smiles
ClCc1csc(n1)CN(C)C
Isomeric Smiles
n1c(scc1CCl)CN(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.019253617
LogD (pH = 7.4)
1.2145709
Log P
1.3153158
Molar Refractivity
48.4808
Polarizability
18.84757
Polar Surface Area
16.13
Rotatable Bonds
3
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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