Molecule

ID:86733

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂Cl₂N₄S
Molecular Mass
351.25358
Exact Mass
350.01597276
Charge
0
InChI
InChI=1S/C15H12Cl2N4S/c1-21-14(11-7-12(16)18-13(17)8-11)19-20-15(21)22-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3
InChIKey
ZUGIFMVOHDXHTG-UHFFFAOYSA-N
Canonic Smiles
Clc1nc(Cl)cc(c1)c1nnc(n1C)SCc1ccccc1
Isomeric Smiles
n1(c(nnc1SCc1ccccc1)c1cc(nc(c1)Cl)Cl)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.506664
LogD (pH = 7.4)
4.5067034
Log P
4.506704
Molar Refractivity
105.6966
Polarizability
35.780273
Polar Surface Area
43.6
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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