3-(4-chlorophenyl)-6-[(E)-2-(4-chlorophenyl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Formula:C17H10N4Cl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-(4-chlorophenyl)-6-[(E)-2-(4-chlorophenyl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is a drug-like molecule.

MolName	3-(4-chlorophenyl)-6-[(E)-2-(4-chlorophenyl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
MolecularFormula	C17H10N4Cl2S
Smiles	Clc1ccc(/C=C/c(s2)nn3c2nnc3-c(cc2)ccc2Cl)cc1
InChI	InChI=1S/C17H10Cl2N4S/c18-13-6-1-11(2-7-13)3-10-15-22-23-16(20-21-17(23)24-15)12-4-8-14(19)9-5-12/h1-10H
InChIK	JZHWXDMYWGMZQX-UHFFFAOYSA-N
TotalMolweight	373.266
Molweight	373.266
MonoisotopicMass	372.00032
CLogP	4.4113
CLogS	-4.721
H Acceptors	4
TotalSurfaceArea	267.59
Relative PSA	0.22878
PolarSurfaceArea	71.32
Druglikeness	3.4908
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	24
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Symmetricatoms	4
Aromatic Nitrogens	4
StereoCon

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