[2-(3-chloro-2-methylanilino)-2-oxoethyl] (2S)-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)propanoate

Formula:C20H13N2O5Cl5 Mutagenic:high Tumorigenic:high Reproductive Effective:high [2-(3-chloro-2-methylanilino)-2-oxoethyl] (2S)-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)propanoate is not a drug-like molecule.

MolName	[2-(3-chloro-2-methylanilino)-2-oxoethyl] (2S)-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)propanoate
MolecularFormula	C20H13N2O5Cl5
Smiles	C[C@@H](C(OCC(Nc1c(C)c(Cl)ccc1)=O)=O)N(C(c(c1c(c(Cl)c2Cl)Cl)c2Cl)=O)C1=O
InChI	InChI=1S/C20H13Cl5N2O5/c1-7-9(21)4-3-5-10(7)26-11(28)6-32-20(31)8(2)27-18(29)12-13(19(27)30)15(23)17(25)16(24)14(12)22/h3-5,8H,6H2,1-2H3,(H,26,28)/t8-/m0/s1
InChIK	QHCKAXJVVXRNEN-QMMMGPOBSA-N
TotalMolweight	538.597
Molweight	538.597
MonoisotopicMass	535.926708
CLogP	5.0771
CLogS	-7.204
H Acceptors	7
H Donors	1
TotalSurfaceArea	350.16
Relative PSA	0.22038
PolarSurfaceArea	92.78
Druglikeness	4.4516
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	low
Nasty Functions	polyhalo aromatic ring
Shape Index	0.5
Fragments	1
Non HAtoms	32
NonCHAtoms	12
Electronegative Atoms	12
StereoCenters	1
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	7
Amides	2
StereoCon	this enantiomer

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1 - [2-(3-chloro-2-methylanilino)-2-oxoethyl] (2S)-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)propanoate | 2 - [2-(3-chloro-2-methylanilino)-2-oxoethyl] (2S)-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)propanoate

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