[3-(4-methylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoate

Formula:C28H19O7F3 Mutagenic:none Tumorigenic:none Reproductive Effective:none [3-(4-methylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoate is not a drug-like molecule.

MolName	[3-(4-methylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoate
MolecularFormula	C28H19O7F3
Smiles	Cc(cc1)ccc1OC1=C(C(F)(F)F)Oc(cc(cc2)OC(/C=C/c(cc3)cc4c3OCCO4)=O)c2C1=O
InChI	InChI=1S/C28H19F3O7/c1-16-2-6-18(7-3-16)37-26-25(33)20-9-8-19(15-22(20)38-27(26)28(29,30)31)36-24(32)11-5-17-4-10-21-23(14-17)35-13-12-34-21/h2-11,14-15H,12-13H2,1H3
InChIK	WDBLWTVORYZKIZ-UHFFFAOYSA-N
TotalMolweight	524.446
Molweight	524.446
MonoisotopicMass	524.108289
CLogP	6.0905
CLogS	-7.408
H Acceptors	7
TotalSurfaceArea	369.94
Relative PSA	0.20565
PolarSurfaceArea	80.29
Druglikeness	-18.547
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.57895
Fragments	1
Non HAtoms	38
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	9
Symmetricatoms	4
StereoCon

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