N-[(E)-3-(2-hydroxyethylamino)-1-(5-nitrofuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide

Formula:C16H15N3O6 Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[(E)-3-(2-hydroxyethylamino)-1-(5-nitrofuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide is a drug-like molecule.

MolName	N-[(E)-3-(2-hydroxyethylamino)-1-(5-nitrofuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide
MolecularFormula	C16H15N3O6
Smiles	[O-][N+](c1ccc(/C=C(\C(NCCO)=O)/NC(c2ccccc2)=O)o1)=O
InChI	InChI=1S/C16H15N3O6/c20-9-8-17-16(22)13(10-12-6-7-14(25-12)19(23)24)18-15(21)11-4-2-1-3-5-11/h1-7,10,20H,8-9H2,(H,17,22)(H,18,21)
InChIK	CHWGHCIHZVEDTD-UHFFFAOYSA-N
TotalMolweight	345.31
Molweight	345.31
MonoisotopicMass	345.096087
CLogP	0.8132
CLogS	-3.826
H Acceptors	9
H Donors	3
TotalSurfaceArea	263.38
Relative PSA	0.40485
PolarSurfaceArea	137.39
Druglikeness	0.16864
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.52
Fragments	1
Non HAtoms	25
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	4
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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