Molecule

ID:84469

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇ClN₂O₂S
Molecular Mass
254.69278
Exact Mass
253.99167615
Charge
0
InChI
InChI=1S/C10H7ClN2O2S/c11-5-10-12-9(6-16-10)7-1-3-8(4-2-7)13(14)15/h1-4,6H,5H2
InChIKey
LEBRGKZHLICZCZ-UHFFFAOYSA-N
Canonic Smiles
ClCc1scc(n1)c1ccc(cc1)[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(c1ccc(cc1)c1csc(n1)CCl)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.265489
LogD (pH = 7.4)
3.2655067
Log P
3.265507
Molar Refractivity
62.5492
Polarizability
24.612926
Polar Surface Area
58.71
Rotatable Bonds
3
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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