2,6-bis[3-[(E)-3-phenylprop-2-enoyl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

Formula:C40H24N2O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2,6-bis[3-[(E)-3-phenylprop-2-enoyl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is not a drug-like molecule.

MolName	2,6-bis[3-[(E)-3-phenylprop-2-enoyl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
MolecularFormula	C40H24N2O6
Smiles	O=C(/C=C/c1ccccc1)c1cccc(N(C(c(c2c3)cc(C(N4c5cc(C(/C=C/c6ccccc6)=O)ccc5)=O)c3C4=O)=O)C2=O)c1
InChI	InChI=1S/C40H24N2O6/c43-35(19-17-25-9-3-1-4-10-25)27-13-7-15-29(21-27)41-37(45)31-23-33-34(24-32(31)38(41)46)40(48)42(39(33)47)30-16-8-14-28(22-30)36(44)20-18-26-11-5-2-6-12-26/h1-24H
InChIK	AAPBRUCQBIISCL-UHFFFAOYSA-N
TotalMolweight	628.639
Molweight	628.639
MonoisotopicMass	628.163438
CLogP	6.6064
CLogS	-9.772
H Acceptors	8
TotalSurfaceArea	465.4
Relative PSA	0.18337
PolarSurfaceArea	108.9
Druglikeness	2.5612
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5625
Fragments	1
Non HAtoms	48
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	8
Rings Closures	7
Small Rings	7
Aromatic Rings	5
Aromatic Atoms	30
Symmetricatoms	29
Amides	2
StereoCon

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