(Z)-1,1,2,4,4-pentachloro-1,4-dinitrobut-2-ene

Formula:C4HN2O4Cl5 Mutagenic:high Tumorigenic:low Reproductive Effective:high (Z)-1,1,2,4,4-pentachloro-1,4-dinitrobut-2-ene is a drug-like molecule.

MolName	(Z)-1,1,2,4,4-pentachloro-1,4-dinitrobut-2-ene
MolecularFormula	C4HN2O4Cl5
Smiles	[O-][N+](C(/C=C(/C([N+]([O-])=O)(Cl)Cl)\Cl)(Cl)Cl)=O
InChI	InChI=1S/C4HCl5N2O4/c5-2(4(8,9)11(14)15)1-3(6,7)10(12)13/h1H
InChIK	LETWWAASNMTWLI-UHFFFAOYSA-N
TotalMolweight	318.327
Molweight	318.327
MonoisotopicMass	315.837893
CLogP	1.1168
CLogS	-3.961
H Acceptors	6
TotalSurfaceArea	183.47
Relative PSA	0.33161
PolarSurfaceArea	91.64
Druglikeness	-6.0708
Mutagenic	high
Tumorigenic	low
Reproductive Effective	high
Irritant	high
Nasty Functions	allyl/benzyl chloride
Shape Index	0.53333
Fragments	1
Non HAtoms	15
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	4
Sp3Atoms	4
Symmetricatoms	2
AcidicOxygens	2
StereoCon

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