2-[5-(1,3-dioxoisoindol-2-yl)-2,4-bis[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]phenyl]isoindole-1,3-dione

Formula:C36H22N4O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[5-(1,3-dioxoisoindol-2-yl)-2,4-bis[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]phenyl]isoindole-1,3-dione is not a drug-like molecule.

MolName	2-[5-(1,3-dioxoisoindol-2-yl)-2,4-bis[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]phenyl]isoindole-1,3-dione
MolecularFormula	C36H22N4O6
Smiles	O=C(c(cccc1)c1C1=O)N1c(c(N/C=C(\C=CC=C1)/C1=O)c1)cc(N(C(c2c3cccc2)=O)C3=O)c1N/C=C(\C=CC=C1)/C1=O
InChI	InChI=1S/C36H22N4O6/c41-31-15-7-1-9-21(31)19-37-27-17-28(38-20-22-10-2-8-16-32(22)42)30(40-35(45)25-13-5-6-14-26(25)36(40)46)18-29(27)39-33(43)23-11-3-4-12-24(23)34(39)44/h1-20,37-38H
InChIK	PLGZBIVXFXJUNG-UHFFFAOYSA-N
TotalMolweight	606.593
Molweight	606.593
MonoisotopicMass	606.153936
CLogP	3.4202
CLogS	-7.464
H Acceptors	10
H Donors	2
TotalSurfaceArea	444.22
Relative PSA	0.24371
PolarSurfaceArea	132.96
Druglikeness	3.5501
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.32609
Fragments	1
Non HAtoms	46
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	7
Small Rings	7
Aromatic Rings	3
Aromatic Atoms	18
Symmetricatoms	27
Amides	2
StereoCon

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1 - 2-[5-(1,3-dioxoisoindol-2-yl)-2,4-bis[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]phenyl]isoindole-1,3-dione | 2 - 2-[5-(1,3-dioxoisoindol-2-yl)-2,4-bis[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]phenyl]isoindole-1,3-dione

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