Molecule

ID:54264

General Information
Structure
MolImage
Molecular Formula
C₄H₇ClN₂S
Molecular Mass
150.62978
Exact Mass
150.00184691
Charge
0
InChI
InChI=1S/C4H6N2S.ClH/c1-3-2-7-4(5)6-3;/h2H,1H3,(H2,5,6);1H
InChIKey
WUMMJVLSXMYDRW-UHFFFAOYSA-N
Canonic Smiles
Cc1csc(n1)N.Cl
Isomeric Smiles
s1c(nc(c1)C)N.Cl
Calculated Properties
JChem
Acid pKa
16.989508
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.5118328
LogD (pH = 7.4)
0.61719704
Log P
0.6187328
Molar Refractivity
30.0316
Polarizability
11.026283
Polar Surface Area
38.91
Rotatable Bonds
0
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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