Molecule

ID:26953

General Information
Structure
Molecular Formula
C₇H₅ClN₂OS
Molecular Mass
200.6454
Exact Mass
199.98111147
Charge
0
InChI
InChI=1S/C7H5ClN2OS/c8-4-5-3-6(11)10-1-2-12-7(10)9-5/h1-3H,4H2
InChIKey
WANAHALOOUKFKI-UHFFFAOYSA-N
Canonic Smiles
ClCc1cc(=O)n2c(n1)scc2
Isomeric Smiles
n12c(nc(cc1=O)CCl)scc2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.3969684
LogD (pH = 7.4)
1.3969684
Log P
1.3969684
Molar Refractivity
50.2291
Polarizability
18.602932
Polar Surface Area
32.67
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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