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

Formula:C16H10N5ClS Mutagenic:none Tumorigenic:high Reproductive Effective:none 6-[(E)-2-(2-chlorophenyl)ethenyl]-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is a drug-like molecule.

MolName	6-[(E)-2-(2-chlorophenyl)ethenyl]-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
MolecularFormula	C16H10N5ClS
Smiles	Clc1c(/C=C/c(s2)nn3c2nnc3-c2cnccc2)cccc1
InChI	InChI=1S/C16H10ClN5S/c17-13-6-2-1-4-11(13)7-8-14-21-22-15(19-20-16(22)23-14)12-5-3-9-18-10-12/h1-10H
InChIK	KXGCGIOSHLQCSZ-UHFFFAOYSA-N
TotalMolweight	339.809
Molweight	339.809
MonoisotopicMass	339.034542
CLogP	2.8044
CLogS	-3.19
H Acceptors	5
TotalSurfaceArea	250.93
Relative PSA	0.28769
PolarSurfaceArea	84.21
Druglikeness	3.4908
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Aromatic Nitrogens	5
StereoCon

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