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

Formula:C20H16N2O6Br2 Mutagenic:none Tumorigenic:high Reproductive Effective:none bis[2-(4-bromoanilino)-2-oxoethyl] (E)-but-2-enedioate is not a drug-like molecule.

MolName	bis[2-(4-bromoanilino)-2-oxoethyl] (E)-but-2-enedioate
MolecularFormula	C20H16N2O6Br2
Smiles	O=C(COC(/C=C/C(OCC(Nc(cc1)ccc1Br)=O)=O)=O)Nc(cc1)ccc1Br
InChI	InChI=1S/C20H16Br2N2O6/c21-13-1-5-15(6-2-13)23-17(25)11-29-19(27)9-10-20(28)30-12-18(26)24-16-7-3-14(22)4-8-16/h1-10H,11-12H2,(H,23,25)(H,24,26)
InChIK	KIXLADKGLJYWPJ-UHFFFAOYSA-N
TotalMolweight	540.163
Molweight	540.163
MonoisotopicMass	537.93751
CLogP	2.9722
CLogS	-4.718
H Acceptors	8
H Donors	2
TotalSurfaceArea	338.22
Relative PSA	0.28112
PolarSurfaceArea	110.8
Druglikeness	-5.316
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.73333
Fragments	1
Non HAtoms	30
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	10
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	17
Amides	2
StereoCon

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