3,5-bis(5-nitro-1,3-dioxoisoindol-2-yl)-N-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]benzamide

Formula:C38H21N5O10 Mutagenic:high Tumorigenic:high Reproductive Effective:none 3,5-bis(5-nitro-1,3-dioxoisoindol-2-yl)-N-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]benzamide is not a drug-like molecule.

MolName	3,5-bis(5-nitro-1,3-dioxoisoindol-2-yl)-N-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]benzamide
MolecularFormula	C38H21N5O10
Smiles	[O-][N+](c(cc1)cc(C(N2c3cc(C(Nc4ccc(/C=C/C(c5ccccc5)=O)cc4)=O)cc(N(C(c(cc4)c5cc4[N+]([O-])=O)=O)C5=O)c3)=O)c1C2=O)=O
InChI	InChI=1S/C38H21N5O10/c44-33(22-4-2-1-3-5-22)15-8-21-6-9-24(10-7-21)39-34(45)23-16-27(40-35(46)29-13-11-25(42(50)51)19-31(29)37(40)48)18-28(17-23)41-36(47)30-14-12-26(43(52)53)20-32(30)38(41)49/h1-20H,(H,39,45)
InChIK	XFBBERQZAXAAMZ-UHFFFAOYSA-N
TotalMolweight	707.61
Molweight	707.61
MonoisotopicMass	707.128845
CLogP	4.2665
CLogS	-9.98
H Acceptors	15
H Donors	1
TotalSurfaceArea	497.7
Relative PSA	0.31674
PolarSurfaceArea	212.57
Druglikeness	-1.9856
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.43396
Fragments	1
Non HAtoms	53
NonCHAtoms	15
Electronegative Atoms	15
Rotatable Bond	9
Rings Closures	7
Small Rings	7
Aromatic Rings	5
Aromatic Atoms	30
Sp3Atoms	2
Symmetricatoms	20
Amides	3
AcidicOxygens	2
StereoCon

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