(E)-3-(furan-2-yl)-1-(4-nitrophenyl)prop-2-en-1-one

Formula:C13H9NO4 Mutagenic:high Tumorigenic:none Reproductive Effective:none (E)-3-(furan-2-yl)-1-(4-nitrophenyl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(furan-2-yl)-1-(4-nitrophenyl)prop-2-en-1-one
MolecularFormula	C13H9NO4
Smiles	[O-][N+](c(cc1)ccc1C(/C=C/c1ccco1)=O)=O
InChI	InChI=1S/C13H9NO4/c15-13(8-7-12-2-1-9-18-12)10-3-5-11(6-4-10)14(16)17/h1-9H
InChIK	IHVZZXXTLZVZKT-UHFFFAOYSA-N
TotalMolweight	243.217
Molweight	243.217
MonoisotopicMass	243.053159
CLogP	1.5709
CLogS	-3.982
H Acceptors	5
TotalSurfaceArea	190.63
Relative PSA	0.302
PolarSurfaceArea	76.03
Druglikeness	-4.7223
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.66667
Fragments	1
Non HAtoms	18
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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