Molecule

ID:82514

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉Cl₂N₃O₂S
Molecular Mass
306.16836
Exact Mass
304.9792529
Charge
0
InChI
InChI=1S/C10H9Cl2N3O2S/c1-2-17-10(16)6-4-18-7(14-6)3-15-5-13-8(11)9(15)12/h4-5H,2-3H2,1H3
InChIKey
DNYYFIVLIFBMGF-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1csc(n1)Cn1cnc(c1Cl)Cl
Isomeric Smiles
n1(c(c(Cl)nc1)Cl)Cc1nc(cs1)C(=O)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.2228496
LogD (pH = 7.4)
2.2242785
Log P
2.2242966
Molar Refractivity
70.1314
Polarizability
26.683088
Polar Surface Area
57.01
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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