N-[(E)-3-(4-nitroanilino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide

Formula:C20H14N4O7 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-3-(4-nitroanilino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide is not a drug-like molecule.

MolName	N-[(E)-3-(4-nitroanilino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
MolecularFormula	C20H14N4O7
Smiles	[O-][N+](c1ccc(/C=C(\C(Nc(cc2)ccc2[N+]([O-])=O)=O)/NC(c2ccco2)=O)cc1)=O
InChI	InChI=1S/C20H14N4O7/c25-19(21-14-5-9-16(10-6-14)24(29)30)17(22-20(26)18-2-1-11-31-18)12-13-3-7-15(8-4-13)23(27)28/h1-12H,(H,21,25)(H,22,26)
InChIK	AOWVWHNMVQTOPR-UHFFFAOYSA-N
TotalMolweight	422.352
Molweight	422.352
MonoisotopicMass	422.086251
CLogP	1.7693
CLogS	-5.475
H Acceptors	11
H Donors	2
TotalSurfaceArea	312.94
Relative PSA	0.39608
PolarSurfaceArea	162.98
Druglikeness	-2.1883
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.51613
Fragments	1
Non HAtoms	31
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	4
Amides	2
AcidicOxygens	2
StereoCon

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