Molecule

ID:52505

General Information
Structure
MolImage
Molecular Formula
C₈H₁₂ClN₃O₃S
Molecular Mass
265.71718
Exact Mass
265.02878994
Charge
0
InChI
InChI=1S/C8H11N3O3S.ClH/c1-6-2-4-7(5-3-6)15(13,14)11-8(12)10-9;/h2-5H,9H2,1H3,(H2,10,11,12);1H
InChIKey
WIPOUWKZGVUWIE-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)NS(=O)(=O)c1ccc(cc1)C.Cl
Isomeric Smiles
NNC(=O)NS(=O)(=O)c1ccc(cc1)C.Cl
Calculated Properties
JChem
Acid pKa
4.169005
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-0.3824523
LogD (pH = 7.4)
-0.4900265
Log P
0.16911842
Molar Refractivity
55.9838
Polarizability
21.925192
Polar Surface Area
101.29
Rotatable Bonds
1
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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