2-[2-bromo-6-chloro-4-[(Z)-2-(4-chlorophenyl)-2-cyanoethenyl]phenoxy]acetate

Formula:C17H9NO3BrCl2 Mutagenic:none Tumorigenic:low Reproductive Effective:high 2-[2-bromo-6-chloro-4-[(Z)-2-(4-chlorophenyl)-2-cyanoethenyl]phenoxy]acetate is a drug-like molecule.

MolName	2-[2-bromo-6-chloro-4-[(Z)-2-(4-chlorophenyl)-2-cyanoethenyl]phenoxy]acetate
MolecularFormula	C17H9NO3BrCl2
Smiles	N#C/C(/c(cc1)ccc1Cl)=C\c(cc1Cl)cc(Br)c1OCC([O-])=O
InChI	InChI=1S/C17H10BrCl2NO3/c18-14-6-10(7-15(20)17(14)24-9-16(22)23)5-12(8-21)11-1-3-13(19)4-2-11/h1-7H,9H2,(H,22,23)/p-1
InChIK	SPKKZPGCBFKWLD-UHFFFAOYSA-M
TotalMolweight	426.072
Molweight	426.072
MonoisotopicMass	423.914284
CLogP	2.2538
CLogS	-5.728
H Acceptors	4
TotalSurfaceArea	277.95
Relative PSA	0.18305
PolarSurfaceArea	73.15
Druglikeness	-6.1695
Mutagenic	none
Tumorigenic	low
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.625
Fragments	1
Non HAtoms	24
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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