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

Formula:C21H12NO4Cl2F Mutagenic:none Tumorigenic:high Reproductive Effective:high (E)-1-(2,5-dichlorophenyl)-3-[4-(4-fluorophenoxy)-3-nitrophenyl]prop-2-en-1-one is not a drug-like molecule.

MolName	(E)-1-(2,5-dichlorophenyl)-3-[4-(4-fluorophenoxy)-3-nitrophenyl]prop-2-en-1-one
MolecularFormula	C21H12NO4Cl2F
Smiles	[O-][N+](c(cc(/C=C/C(c(cc(cc1)Cl)c1Cl)=O)cc1)c1Oc(cc1)ccc1F)=O
InChI	InChI=1S/C21H12Cl2FNO4/c22-14-3-8-18(23)17(12-14)20(26)9-1-13-2-10-21(19(11-13)25(27)28)29-16-6-4-15(24)5-7-16/h1-12H
InChIK	UPEHYTOWTMODBR-UHFFFAOYSA-N
TotalMolweight	432.233
Molweight	432.233
MonoisotopicMass	431.012741
CLogP	5.0906
CLogS	-8.383
H Acceptors	5
TotalSurfaceArea	307.89
Relative PSA	0.17363
PolarSurfaceArea	72.12
Druglikeness	-6.2646
Mutagenic	none
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.58621
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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