bis[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] (E)-but-2-enedioate

Formula:C22H20N2O6Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none bis[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] (E)-but-2-enedioate is a drug-like molecule.

MolName	bis[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] (E)-but-2-enedioate
MolecularFormula	C22H20N2O6Cl2
Smiles	O=C(COC(/C=C/C(OCC(NCc(cc1)ccc1Cl)=O)=O)=O)NCc(cc1)ccc1Cl
InChI	InChI=1S/C22H20Cl2N2O6/c23-17-5-1-15(2-6-17)11-25-19(27)13-31-21(29)9-10-22(30)32-14-20(28)26-12-16-3-7-18(24)8-4-16/h1-10H,11-14H2,(H,25,27)(H,26,28)
InChIK	VCRSTCBKEDXROD-UHFFFAOYSA-N
TotalMolweight	479.315
Molweight	479.315
MonoisotopicMass	478.069842
CLogP	2.1526
CLogS	-4.154
H Acceptors	8
H Donors	2
TotalSurfaceArea	359.32
Relative PSA	0.26461
PolarSurfaceArea	110.8
Druglikeness	-2.9888
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.75
Fragments	1
Non HAtoms	32
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	12
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	18
Amides	2
StereoCon

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