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

Formula:C17H11N4BrS Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-(4-bromophenyl)-6-[(E)-2-phenylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is a drug-like molecule.

MolName	3-(4-bromophenyl)-6-[(E)-2-phenylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
MolecularFormula	C17H11N4BrS
Smiles	Brc(cc1)ccc1-c1nnc2sc(/C=C/c3ccccc3)nn12
InChI	InChI=1S/C17H11BrN4S/c18-14-9-7-13(8-10-14)16-19-20-17-22(16)21-15(23-17)11-6-12-4-2-1-3-5-12/h1-11H
InChIK	BCYJYZVJLMYZAH-UHFFFAOYSA-N
TotalMolweight	383.272
Molweight	383.272
MonoisotopicMass	381.988777
CLogP	3.9245
CLogS	-4.083
H Acceptors	4
TotalSurfaceArea	255.38
Relative PSA	0.23972
PolarSurfaceArea	71.32
Druglikeness	1.6749
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.65217
Fragments	1
Non HAtoms	23
NonCHAtoms	6
Electronegative Atoms	6
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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