N-[(Z)-3-(2-hydroxyethylamino)-1-[5-(4-nitrophenyl)furan-2-yl]-3-oxoprop-1-en-2-yl]benzamide

Formula:C22H19N3O6 Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[(Z)-3-(2-hydroxyethylamino)-1-[5-(4-nitrophenyl)furan-2-yl]-3-oxoprop-1-en-2-yl]benzamide is a drug-like molecule.

MolName	N-[(Z)-3-(2-hydroxyethylamino)-1-[5-(4-nitrophenyl)furan-2-yl]-3-oxoprop-1-en-2-yl]benzamide
MolecularFormula	C22H19N3O6
Smiles	[O-][N+](c(cc1)ccc1-c1ccc(/C=C(/C(NCCO)=O)\NC(c2ccccc2)=O)o1)=O
InChI	InChI=1S/C22H19N3O6/c26-13-12-23-22(28)19(24-21(27)16-4-2-1-3-5-16)14-18-10-11-20(31-18)15-6-8-17(9-7-15)25(29)30/h1-11,14,26H,12-13H2,(H,23,28)(H,24,27)
InChIK	RVTHZIYRQCCMLK-UHFFFAOYSA-N
TotalMolweight	421.408
Molweight	421.408
MonoisotopicMass	421.127387
CLogP	2.212
CLogS	-5.079
H Acceptors	9
H Donors	3
TotalSurfaceArea	323.14
Relative PSA	0.32998
PolarSurfaceArea	137.39
Druglikeness	-0.62366
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.54839
Fragments	1
Non HAtoms	31
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	4
Symmetricatoms	4
Amides	2
AcidicOxygens	1
StereoCon

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