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4,5,6,7-tetrabromo-2-[3-[(E)-3-[4-[(E)-3-oxo-3-[3-(4,5,6,7-tetrabromo-1,3-dioxoisoindol-2-yl)phenyl]prop-1-enyl]phenyl]prop-2-enoyl]phenyl]isoindole-1,3-dione

Formula:C40H16N2O6Br8 Mutagenic:high Tumorigenic:low Reproductive Effective:high 4,5,6,7-tetrabromo-2-[3-[(E)-3-[4-[(E)-3-oxo-3-[3-(4,5,6,7-tetrabromo-1,3-dioxoisoindol-2-yl)phenyl]prop-1-enyl]phenyl]prop-2-enoyl]phenyl]isoindole-1,3-dione is not a drug-like molecule.
MolName4,5,6,7-tetrabromo-2-[3-[(E)-3-[4-[(E)-3-oxo-3-[3-(4,5,6,7-tetrabromo-1,3-dioxoisoindol-2-yl)phenyl]prop-1-enyl]phenyl]prop-2-enoyl]phenyl]isoindole-1,3-dione
MolecularFormulaC40H16N2O6Br8
SmilesO=C(/C=C/c1ccc(/C=C/C(c2cccc(N(C(c(c3c(c(Br)c4Br)Br)c4Br)=O)C3=O)c2)=O)cc1)c1cc(N(C(c(c(Br)c2Br)c3c(Br)c2Br)=O)C3=O)ccc1
InChIInChI=1S/C40H16Br8N2O6/c41-29-25-26(30(42)34(46)33(29)45)38(54)49(37(25)53)21-5-1-3-19(15-21)23(51)13-11-17-7-9-18(10-8-17)12-14-24(52)20-4-2-6-22(16-20)50-39(55)27-28(40(50)56)32(44)36(48)35(47)31(27)43/h1-16H
InChIKDQPFIDBOPQNKNH-UHFFFAOYSA-N
TotalMolweight1259.81
Molweight1259.81
MonoisotopicMass1251.44753
CLogP12.408
CLogS-16.444
H Acceptors8
TotalSurfaceArea614.44
Relative PSA0.13889
PolarSurfaceArea108.9
Druglikeness0.77124
Mutagenichigh
Tumorigeniclow
Reproductive Effectivehigh
Irritantnone
Nasty Functionspolyhalo aromatic ring; polyhalo aromatic ring
Shape Index0.5
Fragments1
Non HAtoms56
NonCHAtoms16
Electronegative Atoms16
Rotatable Bond8
Rings Closures7
Small Rings7
Aromatic Rings5
Aromatic Atoms30
Symmetricatoms36
Amides2
StereoCon

Request More Details | 4,5,6,7-tetrabromo-2-[3-[(E)-3-[4-[(E)-3-oxo-3-[3-(4,5,6,7-tetrabromo-1,3-dioxoisoindol-2-yl)phenyl]prop-1-enyl]phenyl]prop-2-enoyl]phenyl]isoindole-1,3-dione


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