Molecule

ID:37973

General Information
Structure
MolImage
Molecular Formula
C₆H₉ClN₂S
Molecular Mass
176.66706
Exact Mass
176.01749698
Charge
0
InChI
InChI=1S/C6H9ClN2S/c1-4(2)6-5(3-7)10-9-8-6/h4H,3H2,1-2H3
InChIKey
JNDHFJBHXNJEER-UHFFFAOYSA-N
Canonic Smiles
ClCc1snnc1C(C)C
Isomeric Smiles
c1(c(snn1)CCl)C(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.6565566
LogD (pH = 7.4)
2.6565573
Log P
2.6565573
Molar Refractivity
43.7999
Polarizability
16.442472
Polar Surface Area
25.78
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
No Data Available
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Molecule Details
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References
Bioactivity
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