Molecule

ID:85576

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀Cl₂N₂O₃S
Molecular Mass
285.1476
Exact Mass
283.97891855
Charge
0
InChI
InChI=1S/C8H10Cl2N2O3S/c1-16-3-4(13)2-12-8(15)6(10)5(9)7(14)11-12/h4,13H,2-3H2,1H3,(H,11,14)
InChIKey
DNZFMSGQZMLNKQ-UHFFFAOYSA-N
Canonic Smiles
CSCC(Cn1nc(O)c(c(c1=O)Cl)Cl)O
Isomeric Smiles
n1(c(=O)c(c(c(n1)O)Cl)Cl)CC(O)CSC
Calculated Properties
JChem
Acid pKa
4.7074585
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.45625886
LogD (pH = 7.4)
-1.3214751
Log P
1.3129251
Molar Refractivity
64.7408
Polarizability
24.520088
Polar Surface Area
73.13
Rotatable Bonds
4
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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