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

Formula:C18H11N6O3ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(4-chloro-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-(4-chloro-3-nitrophenyl)-N-[3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]prop-2-enamide
MolecularFormula	C18H11N6O3ClS
Smiles	[O-][N+](c(cc(/C=C/C(Nc1cc(-c(s2)nn3c2nnc3)ccc1)=O)cc1)c1Cl)=O
InChI	InChI=1S/C18H11ClN6O3S/c19-14-6-4-11(8-15(14)25(27)28)5-7-16(26)21-13-3-1-2-12(9-13)17-23-24-10-20-22-18(24)29-17/h1-10H,(H,21,26)
InChIK	SQDYNAAWHPPXBI-UHFFFAOYSA-N
TotalMolweight	426.843
Molweight	426.843
MonoisotopicMass	426.030186
CLogP	2.3354
CLogS	-3.343
H Acceptors	9
H Donors	1
TotalSurfaceArea	305.05
Relative PSA	0.38072
PolarSurfaceArea	146.24
Druglikeness	-1.785
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.58621
Fragments	1
Non HAtoms	29
NonCHAtoms	11
Electronegative Atoms	11
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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1 - (E)-3-(4-chloro-3-nitrophenyl)-N-[3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]prop-2-enamide | 2 - (E)-3-(4-chloro-3-nitrophenyl)-N-[3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]prop-2-enamide

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