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

Formula:C18H10N4ClF3S Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-(4-chlorophenyl)-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is a drug-like molecule.

MolName	3-(4-chlorophenyl)-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
MolecularFormula	C18H10N4ClF3S
Smiles	FC(c1cccc(/C=C/c(s2)nn3c2nnc3-c(cc2)ccc2Cl)c1)(F)F
InChI	InChI=1S/C18H10ClF3N4S/c19-14-7-5-12(6-8-14)16-23-24-17-26(16)25-15(27-17)9-4-11-2-1-3-13(10-11)18(20,21)22/h1-10H
InChIK	TXRARQMKSMBFIS-UHFFFAOYSA-N
TotalMolweight	406.818
Molweight	406.818
MonoisotopicMass	406.026677
CLogP	4.6536
CLogS	-4.763
H Acceptors	4
TotalSurfaceArea	281.63
Relative PSA	0.21738
PolarSurfaceArea	71.32
Druglikeness	-3.6992
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.59259
Fragments	1
Non HAtoms	27
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	1
Symmetricatoms	4
Aromatic Nitrogens	4
StereoCon

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