Molecule

ID:136139

General Information
Structure
MolImage
Molecular Formula
C₆H₄ClNO₂S
Molecular Mass
195.57538903
Exact Mass
194.98525608
Charge
0
InChI
InChI=1S/C6H4ClNO2S/c7-11-6-4-2-1-3-5(6)8(9)10/h1-4H/i1+1,2+1,3+1,4+1,5+1,6+1
InChIKey
NTNKNFHIAFDCSJ-IDEBNGHGSA-N
Canonic Smiles
ClS[13c]1[13cH][13cH][13cH][13cH][13c]1[N+](=O)[O-]
Isomeric Smiles
[13cH]1[13cH][13cH][13c]([13c]([13cH]1)[N+](=O)[O-])SCl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.7686517
LogD (pH = 7.4)
2.7686517
Log P
2.7686517
Molar Refractivity
44.6911
Polarizability
17.183704
Polar Surface Area
45.82
Rotatable Bonds
2
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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