Molecule

ID:81645

General Information
Structure
MolImage
Molecular Formula
C₆H₇ClN₂OS
Molecular Mass
190.65058
Exact Mass
189.99676153
Charge
0
InChI
InChI=1S/C6H7ClN2OS/c1-3-2-11-5(4(3)7)6(10)9-8/h2H,8H2,1H3,(H,9,10)
InChIKey
COSDURBTTAEVMV-UHFFFAOYSA-N
Canonic Smiles
Cc1csc(c1Cl)C(=O)NN
Isomeric Smiles
s1c(c(c(c1)C)Cl)C(=O)NN
Calculated Properties
JChem
Acid pKa
12.628739
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.5572203
LogD (pH = 7.4)
1.5577488
Log P
1.5577579
Molar Refractivity
46.3564
Polarizability
17.041441
Polar Surface Area
55.12
Rotatable Bonds
1
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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