8-(4-chlorobenzoyl)-2,6-bis[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

Formula:C47H27N2O7Cl Mutagenic:high Tumorigenic:high Reproductive Effective:none 8-(4-chlorobenzoyl)-2,6-bis[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is not a drug-like molecule.

MolName	8-(4-chlorobenzoyl)-2,6-bis[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
MolecularFormula	C47H27N2O7Cl
Smiles	O=C(/C=C/c(cc1)ccc1N(C(c(cc1C(N2c3ccc(/C=C/C(c4ccccc4)=O)cc3)=O)c3c(C(c(cc4)ccc4Cl)=O)c1C2=O)=O)C3=O)c1ccccc1
InChI	InChI=1S/C47H27ClN2O7/c48-33-19-17-32(18-20-33)43(53)42-40-36(44(54)49(46(40)56)34-21-11-28(12-22-34)15-25-38(51)30-7-3-1-4-8-30)27-37-41(42)47(57)50(45(37)55)35-23-13-29(14-24-35)16-26-39(52)31-9-5-2-6-10-31/h1-27H
InChIK	JMZIRDCMQGJCKA-UHFFFAOYSA-N
TotalMolweight	767.191
Molweight	767.191
MonoisotopicMass	766.15068
CLogP	8.3424
CLogS	-12.608
H Acceptors	9
TotalSurfaceArea	558.33
Relative PSA	0.1762
PolarSurfaceArea	125.97
Druglikeness	2.6115
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.50877
Fragments	1
Non HAtoms	57
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	10
Rings Closures	8
Small Rings	8
Aromatic Rings	6
Aromatic Atoms	36
Symmetricatoms	29
Amides	2
StereoCon

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1 - 8-(4-chlorobenzoyl)-2,6-bis[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone | 2 - 8-(4-chlorobenzoyl)-2,6-bis[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

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