(E)-3-(4-nitrophenyl)-2-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)prop-2-enenitrile

Formula:C18H10N6O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(4-nitrophenyl)-2-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-(4-nitrophenyl)-2-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)prop-2-enenitrile
MolecularFormula	C18H10N6O2S
Smiles	N#C/C(/c(s1)nn2c1nnc2-c1ccccc1)=C\c(cc1)ccc1[N+]([O-])=O
InChI	InChI=1S/C18H10N6O2S/c19-11-14(10-12-6-8-15(9-7-12)24(25)26)17-22-23-16(20-21-18(23)27-17)13-4-2-1-3-5-13/h1-10H
InChIK	PHCBRSZCBHXWMX-UHFFFAOYSA-N
TotalMolweight	374.383
Molweight	374.383
MonoisotopicMass	374.058594
CLogP	1.7437
CLogS	-3.586
H Acceptors	8
TotalSurfaceArea	280.34
Relative PSA	0.37526
PolarSurfaceArea	140.93
Druglikeness	-5.7699
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
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
AcidicOxygens	1
StereoCon

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