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

Formula:C15H9N4ClS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-(4-chlorophenyl)-6-[(E)-2-thiophen-2-ylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is a drug-like molecule.

MolName	3-(4-chlorophenyl)-6-[(E)-2-thiophen-2-ylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
MolecularFormula	C15H9N4ClS2
Smiles	Clc(cc1)ccc1-c1nnc2sc(/C=C/c3cccs3)nn12
InChI	InChI=1S/C15H9ClN4S2/c16-11-5-3-10(4-6-11)14-17-18-15-20(14)19-13(22-15)8-7-12-2-1-9-21-12/h1-9H
InChIK	GMUVRKXJMLFQEY-UHFFFAOYSA-N
TotalMolweight	344.849
Molweight	344.849
MonoisotopicMass	343.995713
CLogP	3.6719
CLogS	-3.995
H Acceptors	4
TotalSurfaceArea	248.11
Relative PSA	0.32881
PolarSurfaceArea	99.56
Druglikeness	4.2528
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.63636
Fragments	1
Non HAtoms	22
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	19
Symmetricatoms	2
Aromatic Nitrogens	4
StereoCon

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