Molecule

ID:116985

General Information
Structure
MolImage
Molecular Formula
C₇H₅ClN₂OS
Molecular Mass
200.6454
Exact Mass
199.98111147
Charge
0
InChI
InChI=1S/C7H5ClN2OS/c8-4-6-9-10-7(11-6)5-2-1-3-12-5/h1-3H,4H2
InChIKey
DKJUUMCXMOJMEI-UHFFFAOYSA-N
Canonic Smiles
ClCc1nnc(o1)c1cccs1
Isomeric Smiles
c1(nnc(o1)CCl)c1sccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.4170123
LogD (pH = 7.4)
1.4170123
Log P
1.4170123
Molar Refractivity
58.169
Polarizability
18.157185
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
No Data Available
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Molecule Details
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References
Bioactivity
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