N-[(E)-1-[5-(3-nitrophenyl)furan-2-yl]-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]benzamide

Formula:C24H21N3O5 Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[(E)-1-[5-(3-nitrophenyl)furan-2-yl]-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]benzamide is a drug-like molecule.

MolName	N-[(E)-1-[5-(3-nitrophenyl)furan-2-yl]-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]benzamide
MolecularFormula	C24H21N3O5
Smiles	[O-][N+](c1cc(-c2ccc(/C=C(\C(N3CCCC3)=O)/NC(c3ccccc3)=O)o2)ccc1)=O
InChI	InChI=1S/C24H21N3O5/c28-23(17-7-2-1-3-8-17)25-21(24(29)26-13-4-5-14-26)16-20-11-12-22(32-20)18-9-6-10-19(15-18)27(30)31/h1-3,6-12,15-16H,4-5,13-14H2,(H,25,28)
InChIK	CJZYQKMKMYSWSZ-UHFFFAOYSA-N
TotalMolweight	431.447
Molweight	431.447
MonoisotopicMass	431.148122
CLogP	3.7899
CLogS	-5.61
H Acceptors	8
H Donors	1
TotalSurfaceArea	329.65
Relative PSA	0.25973
PolarSurfaceArea	108.37
Druglikeness	1.3182
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.5
Fragments	1
Non HAtoms	32
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	5
Symmetricatoms	4
Amides	2
AcidicOxygens	1
StereoCon

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