(E)-3-(2,6-dichlorophenyl)prop-2-enoyl chloride

Formula:C9H5OCl3 Mutagenic:high Tumorigenic:none Reproductive Effective:none (E)-3-(2,6-dichlorophenyl)prop-2-enoyl chloride is a drug-like molecule.

MolName	(E)-3-(2,6-dichlorophenyl)prop-2-enoyl chloride
MolecularFormula	C9H5OCl3
Smiles	O=C(/C=C/c(c(Cl)ccc1)c1Cl)Cl
InChI	InChI=1S/C9H5Cl3O/c10-7-2-1-3-8(11)6(7)4-5-9(12)13/h1-5H
InChIK	RTQDVNBXNNTDDK-UHFFFAOYSA-N
TotalMolweight	235.497
Molweight	235.497
MonoisotopicMass	233.940596
CLogP	3.0678
CLogS	-3.547
H Acceptors	1
TotalSurfaceArea	163.77
Relative PSA	0.079624
PolarSurfaceArea	17.07
Druglikeness	-9.7936
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions	acyl-halogenide type; allyl/benzyl chloride
Shape Index	0.61538
Fragments	1
Non HAtoms	13
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	2
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Symmetricatoms	3
StereoCon

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