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

Formula:C18H12N6O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(3-nitrophenyl)-N-[3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]prop-2-enamide is a drug-like molecule.

MolName	(E)-3-(3-nitrophenyl)-N-[3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]prop-2-enamide
MolecularFormula	C18H12N6O3S
Smiles	[O-][N+](c1cccc(/C=C/C(Nc2cccc(-c(s3)nn4c3nnc4)c2)=O)c1)=O
InChI	InChI=1S/C18H12N6O3S/c25-16(8-7-12-3-1-6-15(9-12)24(26)27)20-14-5-2-4-13(10-14)17-22-23-11-19-21-18(23)28-17/h1-11H,(H,20,25)
InChIK	GAUAQTBFONOONO-UHFFFAOYSA-N
TotalMolweight	392.398
Molweight	392.398
MonoisotopicMass	392.069159
CLogP	1.7294
CLogS	-2.607
H Acceptors	9
H Donors	1
TotalSurfaceArea	289.63
Relative PSA	0.40099
PolarSurfaceArea	146.24
Druglikeness	-1.8353
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.60714
Fragments	1
Non HAtoms	28
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	1
Amides	1
Aromatic Nitrogens	4
AcidicOxygens	1
StereoCon

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