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

Formula:C19H11NO4ClF Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-3-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-1-(4-fluorophenyl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-1-(4-fluorophenyl)prop-2-en-1-one
MolecularFormula	C19H11NO4ClF
Smiles	[O-][N+](c(cc(cc1)-c2ccc(/C=C/C(c(cc3)ccc3F)=O)o2)c1Cl)=O
InChI	InChI=1S/C19H11ClFNO4/c20-16-8-3-13(11-17(16)22(24)25)19-10-7-15(26-19)6-9-18(23)12-1-4-14(21)5-2-12/h1-11H
InChIK	YEELGZKOERHAGY-UHFFFAOYSA-N
TotalMolweight	371.75
Molweight	371.75
MonoisotopicMass	371.036064
CLogP	4.0279
CLogS	-6.81
H Acceptors	5
TotalSurfaceArea	272.16
Relative PSA	0.21153
PolarSurfaceArea	76.03
Druglikeness	-4.5816
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
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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