Molecule

ID:81004

General Information
Structure
MolImage
Molecular Formula
C₇H₆ClNO₂S
Molecular Mass
203.64604
Exact Mass
202.98077712
Charge
0
InChI
InChI=1S/C7H6ClNO2S/c1-12-7-4-5(8)2-3-6(7)9(10)11/h2-4H,1H3
InChIKey
UGEHZDRDLBACDW-UHFFFAOYSA-N
Canonic Smiles
CSc1cc(Cl)ccc1[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(c1ccc(cc1SC)Cl)[O-]
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.1454918
LogD (pH = 7.4)
3.1454918
Log P
3.1454918
Molar Refractivity
50.9464
Polarizability
19.021263
Polar Surface Area
45.82
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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