Molecule

ID:74689

General Information
Structure
MolImage
Molecular Formula
C₉H₇ClN₂O₂S₃
Molecular Mass
306.81208
Exact Mass
305.93581815
Charge
0
InChI
InChI=1S/C9H7ClN2O2S3/c1-15-9-11-3-2-7(12-9)6-4-8(16-5-6)17(10,13)14/h2-5H,1H3
InChIKey
HAKBDXYKYHVSDC-UHFFFAOYSA-N
Canonic Smiles
CSc1nccc(n1)c1csc(c1)S(=O)(=O)Cl
Isomeric Smiles
s1cc(c2ccnc(n2)SC)cc1S(=O)(=O)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.2824142
LogD (pH = 7.4)
3.2825534
Log P
3.2825553
Molar Refractivity
70.6513
Polarizability
29.188595
Polar Surface Area
59.92
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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