Molecule

ID:82268

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇Cl₂N₃S
Molecular Mass
272.15368
Exact Mass
270.9737736
Charge
0
InChI
InChI=1S/C10H7Cl2N3S/c1-16-10-14-8(13-9(12)15-10)6-2-4-7(11)5-3-6/h2-5H,1H3
InChIKey
CZSGOZYEXWHHFU-UHFFFAOYSA-N
Canonic Smiles
CSc1nc(Cl)nc(n1)c1ccc(cc1)Cl
Isomeric Smiles
n1c(nc(nc1SC)Cl)c1ccc(cc1)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.859213
LogD (pH = 7.4)
4.859213
Log P
4.859213
Molar Refractivity
80.941
Polarizability
26.743876
Polar Surface Area
38.67
Rotatable Bonds
2
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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