Molecule

ID:67607

General Information
Structure
MolImage
Molecular Formula
C₇H₅ClN₂S
Molecular Mass
184.646
Exact Mass
183.98619685
Charge
0
InChI
InChI=1S/C7H5ClN2S/c8-4-2-1-3-5-6(4)10-7(9)11-5/h1-3H,(H2,9,10)
InChIKey
OEQQFQXMCPMEIH-UHFFFAOYSA-N
Canonic Smiles
Nc1sc2c(n1)c(Cl)ccc2
Isomeric Smiles
s1c(nc2c1cccc2Cl)N
Calculated Properties
JChem
Acid pKa
16.43148
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.5668168
LogD (pH = 7.4)
2.5727642
Log P
2.5728405
Molar Refractivity
46.1072
Polarizability
18.643272
Polar Surface Area
38.91
Rotatable Bonds
0
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
No Data Available
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Molecule Details
References
Bioactivity
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