[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(2-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate

Formula:C25H19N2O5Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-(2,3-dimethylanilino)-2-oxoethyl] 2-(2-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate is a drug-like molecule.

MolName	[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(2-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate
MolecularFormula	C25H19N2O5Cl
Smiles	Cc1cccc(NC(COC(c(cc2)cc(C(N3c(cccc4)c4Cl)=O)c2C3=O)=O)=O)c1C
InChI	InChI=1S/C25H19ClN2O5/c1-14-6-5-8-20(15(14)2)27-22(29)13-33-25(32)16-10-11-17-18(12-16)24(31)28(23(17)30)21-9-4-3-7-19(21)26/h3-12H,13H2,1-2H3,(H,27,29)
InChIK	VLQIZEAFFYNWKM-UHFFFAOYSA-N
TotalMolweight	462.888
Molweight	462.888
MonoisotopicMass	462.09825
CLogP	4.488
CLogS	-6.309
H Acceptors	7
H Donors	1
TotalSurfaceArea	335.74
Relative PSA	0.22985
PolarSurfaceArea	92.78
Druglikeness	3.1802
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.54545
Fragments	1
Non HAtoms	33
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
Amides	2
StereoCon

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