2-[3-(4-methylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxy-N-(4-phenoxyphenyl)acetamide

Formula:C31H22NO6F3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[3-(4-methylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxy-N-(4-phenoxyphenyl)acetamide is not a drug-like molecule.

MolName	2-[3-(4-methylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxy-N-(4-phenoxyphenyl)acetamide
MolecularFormula	C31H22NO6F3
Smiles	Cc(cc1)ccc1OC1=C(C(F)(F)F)Oc(cc(cc2)OCC(Nc(cc3)ccc3Oc3ccccc3)=O)c2C1=O
InChI	InChI=1S/C31H22F3NO6/c1-19-7-11-23(12-8-19)40-29-28(37)25-16-15-24(17-26(25)41-30(29)31(32,33)34)38-18-27(36)35-20-9-13-22(14-10-20)39-21-5-3-2-4-6-21/h2-17H,18H2,1H3,(H,35,36)
InChIK	REZBZIKKKFYQHZ-UHFFFAOYSA-N
TotalMolweight	561.511
Molweight	561.511
MonoisotopicMass	561.139923
CLogP	6.47
CLogS	-8.975
H Acceptors	7
H Donors	1
TotalSurfaceArea	404.4
Relative PSA	0.19174
PolarSurfaceArea	83.09
Druglikeness	-7.5861
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.60976
Fragments	1
Non HAtoms	41
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	9
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	7
Symmetricatoms	8
Amides	1
StereoCon

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