(2E)-2,3,4,5,5-pentachloro-1-pyrrolidin-1-ylpenta-2,4-dien-1-one

Formula:C9H8NOCl5 Mutagenic:high Tumorigenic:low Reproductive Effective:high (2E)-2,3,4,5,5-pentachloro-1-pyrrolidin-1-ylpenta-2,4-dien-1-one is a drug-like molecule.

MolName	(2E)-2,3,4,5,5-pentachloro-1-pyrrolidin-1-ylpenta-2,4-dien-1-one
MolecularFormula	C9H8NOCl5
Smiles	O=C(/C(/Cl)=C(/C(Cl)=C(Cl)Cl)\Cl)N1CCCC1
InChI	InChI=1S/C9H8Cl5NO/c10-5(6(11)8(13)14)7(12)9(16)15-3-1-2-4-15/h1-4H2
InChIK	WUELSOBVETYXLV-UHFFFAOYSA-N
TotalMolweight	323.434
Molweight	323.434
MonoisotopicMass	320.904849
CLogP	4.4317
CLogS	-4.409
H Acceptors	2
TotalSurfaceArea	206.03
Relative PSA	0.080522
PolarSurfaceArea	20.31
Druglikeness	2.7396
Mutagenic	high
Tumorigenic	low
Reproductive Effective	high
Irritant	high
Nasty Functions	allyl/benzyl chloride; 1,1-dihalo-alkene; 1,2-dihalo-alkene; 2-halo-enone; 3-halo-enone
Shape Index	0.5625
Fragments	1
Non HAtoms	16
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	2
Rings Closures	1
Small Rings	1
Sp3Atoms	4
Symmetricatoms	3
Amides	1
StereoCon

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