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

Formula:C17H10N4BrClS Mutagenic:none Tumorigenic:high Reproductive Effective:none 3-(2-bromophenyl)-6-[(E)-2-(2-chlorophenyl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is a drug-like molecule.

MolName	3-(2-bromophenyl)-6-[(E)-2-(2-chlorophenyl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
MolecularFormula	C17H10N4BrClS
Smiles	Clc1c(/C=C/c(s2)nn3c2nnc3-c(cccc2)c2Br)cccc1
InChI	InChI=1S/C17H10BrClN4S/c18-13-7-3-2-6-12(13)16-20-21-17-23(16)22-15(24-17)10-9-11-5-1-4-8-14(11)19/h1-10H
InChIK	WIVKHEUIDJZDJE-UHFFFAOYSA-N
TotalMolweight	417.717
Molweight	417.717
MonoisotopicMass	415.949804
CLogP	4.5305
CLogS	-4.819
H Acceptors	4
TotalSurfaceArea	270.8
Relative PSA	0.22607
PolarSurfaceArea	71.32
Druglikeness	1.7008
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.58333
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
Aromatic Nitrogens	4
StereoCon

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