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

Formula:C16H9O4BrCl2 Mutagenic:none Tumorigenic:none Reproductive Effective:high (3,4-dichlorophenyl) (E)-3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enoate is not a drug-like molecule.

MolName	(3,4-dichlorophenyl) (E)-3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enoate
MolecularFormula	C16H9O4BrCl2
Smiles	O=C(/C=C/c(cc1OCOc1c1)c1Br)Oc(cc1)cc(Cl)c1Cl
InChI	InChI=1S/C16H9BrCl2O4/c17-11-7-15-14(21-8-22-15)5-9(11)1-4-16(20)23-10-2-3-12(18)13(19)6-10/h1-7H,8H2
InChIK	WEQMSBYCGORMLY-UHFFFAOYSA-N
TotalMolweight	416.053
Molweight	416.053
MonoisotopicMass	413.906125
CLogP	5.4679
CLogS	-6.473
H Acceptors	4
TotalSurfaceArea	257
Relative PSA	0.16747
PolarSurfaceArea	44.76
Druglikeness	-4.9593
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
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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