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

Formula:C19H11N2O6Cl Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-1-(3-nitrophenyl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-1-(3-nitrophenyl)prop-2-en-1-one
MolecularFormula	C19H11N2O6Cl
Smiles	[O-][N+](c1cccc(C(/C=C/c2ccc(-c(ccc([N+]([O-])=O)c3)c3Cl)o2)=O)c1)=O
InChI	InChI=1S/C19H11ClN2O6/c20-17-11-14(22(26)27)4-7-16(17)19-9-6-15(28-19)5-8-18(23)12-2-1-3-13(10-12)21(24)25/h1-11H
InChIK	NAHXGHRLMBURLN-UHFFFAOYSA-N
TotalMolweight	398.757
Molweight	398.757
MonoisotopicMass	398.030565
CLogP	3.0055
CLogS	-6.956
H Acceptors	8
TotalSurfaceArea	289.48
Relative PSA	0.30396
PolarSurfaceArea	121.85
Druglikeness	-3.2416
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.60714
Fragments	1
Non HAtoms	28
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
AcidicOxygens	2
StereoCon

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