(E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(4-fluorophenoxy)-3-nitrophenyl]prop-2-en-1-one

Formula:C23H16NO6F Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(4-fluorophenoxy)-3-nitrophenyl]prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(4-fluorophenoxy)-3-nitrophenyl]prop-2-en-1-one
MolecularFormula	C23H16NO6F
Smiles	[O-][N+](c(cc(/C=C/C(c(cc1)cc2c1OCCO2)=O)cc1)c1Oc(cc1)ccc1F)=O
InChI	InChI=1S/C23H16FNO6/c24-17-4-6-18(7-5-17)31-21-9-2-15(13-19(21)25(27)28)1-8-20(26)16-3-10-22-23(14-16)30-12-11-29-22/h1-10,13-14H,11-12H2
InChIK	GBUSUZNTEOSAHC-UHFFFAOYSA-N
TotalMolweight	421.379
Molweight	421.379
MonoisotopicMass	421.096167
CLogP	3.8574
CLogS	-7.093
H Acceptors	7
TotalSurfaceArea	311.07
Relative PSA	0.23615
PolarSurfaceArea	90.58
Druglikeness	-13.426
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.6129
Fragments	1
Non HAtoms	31
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	6
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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