Molecule

ID:81673

General Information
Structure
MolImage
Molecular Formula
C₅H₃ClN₂O₃S
Molecular Mass
206.60692
Exact Mass
205.95529065
Charge
0
InChI
InChI=1S/C5H3ClN2O3S/c6-2-1-3(8(10)11)12-4(2)5(7)9/h1H,(H2,7,9)
InChIKey
XJHPBKHQFXNRAU-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cc(c(s1)C(=O)N)Cl
Isomeric Smiles
s1c(cc(c1C(=O)N)Cl)[N+](=O)[O-]
Calculated Properties
JChem
Acid pKa
10.996438
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.4467936
LogD (pH = 7.4)
1.4468905
Log P
1.4467924
Molar Refractivity
43.3157
Polarizability
16.017591
Polar Surface Area
88.91
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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