(2,4-difluorophenyl) (E)-3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enoate

Formula:C16H9O4BrF2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (2,4-difluorophenyl) (E)-3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enoate is a drug-like molecule.

MolName	(2,4-difluorophenyl) (E)-3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enoate
MolecularFormula	C16H9O4BrF2
Smiles	O=C(/C=C/c(cc1OCOc1c1)c1Br)Oc(ccc(F)c1)c1F
InChI	InChI=1S/C16H9BrF2O4/c17-11-7-15-14(21-8-22-15)5-9(11)1-4-16(20)23-13-3-2-10(18)6-12(13)19/h1-7H,8H2
InChIK	YFFOWADVYOZXBS-UHFFFAOYSA-N
TotalMolweight	383.143
Molweight	383.143
MonoisotopicMass	381.965227
CLogP	4.4575
CLogS	-5.629
H Acceptors	4
TotalSurfaceArea	238.86
Relative PSA	0.18019
PolarSurfaceArea	44.76
Druglikeness	-6.4272
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
StereoCon

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