Molecule

ID:18173

General Information
Structure
MolImage
Molecular Formula
C₆H₇ClN₂OS
Molecular Mass
190.65058
Exact Mass
189.99676153
Charge
0
InChI
InChI=1S/C6H7ClN2OS/c1-9(5(10)4-7)6-8-2-3-11-6/h2-3H,4H2,1H3
InChIKey
MNLNQNVBHSEHRY-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)N(c1nccs1)C
Isomeric Smiles
c1(N(C(=O)CCl)C)nccs1
Calculated Properties
JChem
Acid pKa
16.492945
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.95540804
LogD (pH = 7.4)
0.9554088
Log P
0.9554089
Molar Refractivity
43.4718
Polarizability
16.809208
Polar Surface Area
33.2
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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