(E)-2-(benzenesulfonyl)-3-[5-(3-nitrophenyl)furan-2-yl]-N-(pyridin-3-ylmethyl)prop-2-enamide

Formula:C25H19N3O6S Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-2-(benzenesulfonyl)-3-[5-(3-nitrophenyl)furan-2-yl]-N-(pyridin-3-ylmethyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-2-(benzenesulfonyl)-3-[5-(3-nitrophenyl)furan-2-yl]-N-(pyridin-3-ylmethyl)prop-2-enamide
MolecularFormula	C25H19N3O6S
Smiles	[O-][N+](c1cccc(-c2ccc(/C=C(\C(NCc3cnccc3)=O)/S(c3ccccc3)(=O)=O)o2)c1)=O
InChI	InChI=1S/C25H19N3O6S/c29-25(27-17-18-6-5-13-26-16-18)24(35(32,33)22-9-2-1-3-10-22)15-21-11-12-23(34-21)19-7-4-8-20(14-19)28(30)31/h1-16H,17H2,(H,27,29)
InChIK	MAXPNZQHDSHEFQ-UHFFFAOYSA-N
TotalMolweight	489.507
Molweight	489.507
MonoisotopicMass	489.099457
CLogP	2.2758
CLogS	-6.01
H Acceptors	9
H Donors	1
TotalSurfaceArea	360.92
Relative PSA	0.30084
PolarSurfaceArea	143.47
Druglikeness	-9.183
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.48571
Fragments	1
Non HAtoms	35
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	3
Symmetricatoms	3
Amides	1
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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