Molecule

ID:85893

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀ClN₃O₂S₃
Molecular Mass
311.8319
Exact Mass
310.96236726
Charge
0
InChI
InChI=1S/C8H10ClN3O2S3/c1-15-6-5(8(16-2)17-12-6)7(13)14-11-4(10)3-9/h3H2,1-2H3,(H2,10,11)
InChIKey
XKPDJYRYSKDLJJ-UHFFFAOYSA-N
Canonic Smiles
ClC/C(=N/OC(=O)c1c(SC)snc1SC)/N
Isomeric Smiles
n1c(c(c(s1)SC)C(=O)O/N=C(\N)/CCl)SC
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.7571006
LogD (pH = 7.4)
2.7572684
Log P
2.7572706
Molar Refractivity
73.9171
Polarizability
28.09292
Polar Surface Area
77.57
Rotatable Bonds
6
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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