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

Formula:C19H11NO4Cl2 Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-3-[5-(3,4-dichlorophenyl)furan-2-yl]-1-(3-nitrophenyl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-[5-(3,4-dichlorophenyl)furan-2-yl]-1-(3-nitrophenyl)prop-2-en-1-one
MolecularFormula	C19H11NO4Cl2
Smiles	[O-][N+](c1cccc(C(/C=C/c2ccc(-c(cc3)cc(Cl)c3Cl)o2)=O)c1)=O
InChI	InChI=1S/C19H11Cl2NO4/c20-16-7-4-13(11-17(16)21)19-9-6-15(26-19)5-8-18(23)12-2-1-3-14(10-12)22(24)25/h1-11H
InChIK	FRPHLXHXTDZZLD-UHFFFAOYSA-N
TotalMolweight	388.205
Molweight	388.205
MonoisotopicMass	387.006513
CLogP	4.5331
CLogS	-7.232
H Acceptors	5
TotalSurfaceArea	281.23
Relative PSA	0.20471
PolarSurfaceArea	76.03
Druglikeness	-3.2416
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
AcidicOxygens	1
StereoCon

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