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

Formula:C15H10N4OS Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-(furan-2-yl)-6-[(E)-2-phenylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is a drug-like molecule.

MolName	3-(furan-2-yl)-6-[(E)-2-phenylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
MolecularFormula	C15H10N4OS
Smiles	C(c(s1)nn2c1nnc2-c1ccco1)=C/c1ccccc1
InChI	InChI=1S/C15H10N4OS/c1-2-5-11(6-3-1)8-9-13-18-19-14(12-7-4-10-20-12)16-17-15(19)21-13/h1-10H
InChIK	BIXISWUWXHQLJV-UHFFFAOYSA-N
TotalMolweight	294.337
Molweight	294.337
MonoisotopicMass	294.057531
CLogP	2.425
CLogS	-2.599
H Acceptors	5
TotalSurfaceArea	226.44
Relative PSA	0.33267
PolarSurfaceArea	84.46
Druglikeness	3.2199
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.61905
Fragments	1
Non HAtoms	21
NonCHAtoms	6
Electronegative Atoms	6
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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