Molecule

ID:27075

General Information
Structure
MolImage
Molecular Formula
C₇H₇ClN₂O₂S
Molecular Mass
218.66068
Exact Mass
217.99167615
Charge
0
InChI
InChI=1S/C7H7ClN2O2S/c8-3-5(11)10-7-4(6(9)12)1-2-13-7/h1-2H,3H2,(H2,9,12)(H,10,11)
InChIKey
CLFJNLMGYISWMW-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)Nc1sccc1C(=O)N
Isomeric Smiles
c1(c(C(=O)N)ccs1)NC(=O)CCl
Calculated Properties
JChem
Acid pKa
10.089714
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.1953676
LogD (pH = 7.4)
1.1945362
Log P
1.1953782
Molar Refractivity
51.0183
Polarizability
18.755983
Polar Surface Area
72.19
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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