benzyl 2-[[(E)-2-(furan-2-carbonylamino)-3-(3-nitrophenyl)prop-2-enoyl]amino]acetate

Formula:C23H19N3O7 Mutagenic:none Tumorigenic:none Reproductive Effective:none benzyl 2-[[(E)-2-(furan-2-carbonylamino)-3-(3-nitrophenyl)prop-2-enoyl]amino]acetate is a drug-like molecule.

MolName	benzyl 2-[[(E)-2-(furan-2-carbonylamino)-3-(3-nitrophenyl)prop-2-enoyl]amino]acetate
MolecularFormula	C23H19N3O7
Smiles	[O-][N+](c1cc(/C=C(\C(NCC(OCc2ccccc2)=O)=O)/NC(c2ccco2)=O)ccc1)=O
InChI	InChI=1S/C23H19N3O7/c27-21(33-15-16-6-2-1-3-7-16)14-24-22(28)19(25-23(29)20-10-5-11-32-20)13-17-8-4-9-18(12-17)26(30)31/h1-13H,14-15H2,(H,24,28)(H,25,29)
InChIK	ZHMPDFXEETXOOE-UHFFFAOYSA-N
TotalMolweight	449.418
Molweight	449.418
MonoisotopicMass	449.122302
CLogP	1.9582
CLogS	-4.734
H Acceptors	10
H Donors	2
TotalSurfaceArea	344.54
Relative PSA	0.33834
PolarSurfaceArea	143.46
Druglikeness	-3.0318
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.51515
Fragments	1
Non HAtoms	33
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	10
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	4
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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1 - benzyl 2-[[(E)-2-(furan-2-carbonylamino)-3-(3-nitrophenyl)prop-2-enoyl]amino]acetate | 2 - benzyl 2-[[(E)-2-(furan-2-carbonylamino)-3-(3-nitrophenyl)prop-2-enoyl]amino]acetate

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