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

Formula:C18H13N3O6 Mutagenic:high Tumorigenic:none Reproductive Effective:none N-[(E)-1-(furan-2-yl)-3-(4-nitroanilino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide is a drug-like molecule.

MolName	N-[(E)-1-(furan-2-yl)-3-(4-nitroanilino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
MolecularFormula	C18H13N3O6
Smiles	[O-][N+](c(cc1)ccc1NC(/C(/NC(c1ccco1)=O)=C\c1ccco1)=O)=O
InChI	InChI=1S/C18H13N3O6/c22-17(19-12-5-7-13(8-6-12)21(24)25)15(11-14-3-1-9-26-14)20-18(23)16-4-2-10-27-16/h1-11H,(H,19,22)(H,20,23)
InChIK	JYQMCDAJLZHOEA-UHFFFAOYSA-N
TotalMolweight	367.316
Molweight	367.316
MonoisotopicMass	367.080437
CLogP	1.8796
CLogS	-4.697
H Acceptors	9
H Donors	2
TotalSurfaceArea	278.96
Relative PSA	0.38586
PolarSurfaceArea	130.3
Druglikeness	-2.1883
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.51852
Fragments	1
Non HAtoms	27
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	1
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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