Molecule

ID:117365

General Information
Structure
MolImage
Molecular Formula
C₆H₇ClN₂O₂S
Molecular Mass
206.64998
Exact Mass
205.99167615
Charge
0
InChI
InChI=1S/C6H7ClN2O2S/c1-2-11-5(10)3-4(7)12-6(8)9-3/h2H2,1H3,(H2,8,9)
InChIKey
JILQJAVCOAVWCC-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1nc(sc1Cl)N
Isomeric Smiles
c1(c(sc(n1)N)Cl)C(=O)OCC
Calculated Properties
JChem
Acid pKa
15.934336
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.8035119
LogD (pH = 7.4)
1.8035382
Log P
1.8035386
Molar Refractivity
45.8067
Polarizability
17.688442
Polar Surface Area
65.21
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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