(E)-3-(1,3-benzodioxol-5-yl)-1-[2,4-bis(difluoromethoxy)phenyl]prop-2-en-1-one

Formula:C18H12O5F4 Mutagenic:none Tumorigenic:none Reproductive Effective:high (E)-3-(1,3-benzodioxol-5-yl)-1-[2,4-bis(difluoromethoxy)phenyl]prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(1,3-benzodioxol-5-yl)-1-[2,4-bis(difluoromethoxy)phenyl]prop-2-en-1-one
MolecularFormula	C18H12O5F4
Smiles	O=C(/C=C/c(cc1)cc2c1OCO2)c(ccc(OC(F)F)c1)c1OC(F)F
InChI	InChI=1S/C18H12F4O5/c19-17(20)26-11-3-4-12(15(8-11)27-18(21)22)13(23)5-1-10-2-6-14-16(7-10)25-9-24-14/h1-8,17-18H,9H2
InChIK	NJQDBRDXAWTZGM-UHFFFAOYSA-N
TotalMolweight	384.28
Molweight	384.28
MonoisotopicMass	384.062087
CLogP	3.754
CLogS	-5.795
H Acceptors	5
TotalSurfaceArea	267.93
Relative PSA	0.19796
PolarSurfaceArea	53.99
Druglikeness	-2.6076
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Symmetricatoms	2
StereoCon

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