5-bromo-N-[(E)-3-(2-hydroxyethylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide

Formula:C16H14N3O6Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-bromo-N-[(E)-3-(2-hydroxyethylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide is a drug-like molecule.

MolName	5-bromo-N-[(E)-3-(2-hydroxyethylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
MolecularFormula	C16H14N3O6Br
Smiles	[O-][N+](c1cccc(/C=C(\C(NCCO)=O)/NC(c(o2)ccc2Br)=O)c1)=O
InChI	InChI=1S/C16H14BrN3O6/c17-14-5-4-13(26-14)16(23)19-12(15(22)18-6-7-21)9-10-2-1-3-11(8-10)20(24)25/h1-5,8-9,21H,6-7H2,(H,18,22)(H,19,23)
InChIK	WDQWEBBYVLALDT-UHFFFAOYSA-N
TotalMolweight	424.206
Molweight	424.206
MonoisotopicMass	423.006598
CLogP	1.2844
CLogS	-3.898
H Acceptors	9
H Donors	3
TotalSurfaceArea	282.01
Relative PSA	0.37811
PolarSurfaceArea	137.39
Druglikeness	-3.7893
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.5
Fragments	1
Non HAtoms	26
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	4
Amides	2
AcidicOxygens	1
StereoCon

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