[3-(trifluoromethyl)phenyl]methyl (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate

Formula:C18H13O4F3 Mutagenic:none Tumorigenic:none Reproductive Effective:high [3-(trifluoromethyl)phenyl]methyl (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate is a drug-like molecule.

MolName	[3-(trifluoromethyl)phenyl]methyl (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate
MolecularFormula	C18H13O4F3
Smiles	O=C(/C=C/c(cc1)cc2c1OCO2)OCc1cccc(C(F)(F)F)c1
InChI	InChI=1S/C18H13F3O4/c19-18(20,21)14-3-1-2-13(8-14)10-23-17(22)7-5-12-4-6-15-16(9-12)25-11-24-15/h1-9H,10-11H2
InChIK	SEMAAUUDEVNFJD-UHFFFAOYSA-N
TotalMolweight	350.291
Molweight	350.291
MonoisotopicMass	350.076594
CLogP	4.2796
CLogS	-4.939
H Acceptors	4
TotalSurfaceArea	250.75
Relative PSA	0.17165
PolarSurfaceArea	44.76
Druglikeness	-10.365
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.6
Fragments	1
Non HAtoms	25
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	2
StereoCon

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