Molecule

ID:85992

General Information
Structure
MolImage
Molecular Formula
C₇H₅ClN₂OS
Molecular Mass
200.6454
Exact Mass
199.98111147
Charge
0
InChI
InChI=1S/C7H5ClN2OS/c8-3-6-9-7(11-10-6)5-1-2-12-4-5/h1-2,4H,3H2
InChIKey
KHJYOJVUQYWASE-UHFFFAOYSA-N
Canonic Smiles
ClCc1noc(n1)c1cscc1
Isomeric Smiles
n1c(c2cscc2)onc1CCl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.6716607
LogD (pH = 7.4)
2.6716607
Log P
2.6716607
Molar Refractivity
58.2591
Polarizability
18.15151
Polar Surface Area
38.92
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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