(E)-1-(4-nitrophenyl)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-en-1-one

Formula:C19H12N2O6 Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-1-(4-nitrophenyl)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-(4-nitrophenyl)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-en-1-one
MolecularFormula	C19H12N2O6
Smiles	[O-][N+](c(cc1)ccc1C(/C=C/c1ccc(-c2cccc([N+]([O-])=O)c2)o1)=O)=O
InChI	InChI=1S/C19H12N2O6/c22-18(13-4-6-15(7-5-13)20(23)24)10-8-17-9-11-19(27-17)14-2-1-3-16(12-14)21(25)26/h1-12H
InChIK	PDYOIWAZLPNVGD-UHFFFAOYSA-N
TotalMolweight	364.312
Molweight	364.312
MonoisotopicMass	364.069538
CLogP	2.3995
CLogS	-6.22
H Acceptors	8
TotalSurfaceArea	274.06
Relative PSA	0.32106
PolarSurfaceArea	121.85
Druglikeness	-3.3215
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.62963
Fragments	1
Non HAtoms	27
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	2
AcidicOxygens	2
StereoCon

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