4-nitro-N-[3-[(E)-3-[3-[(4-nitrobenzoyl)amino]phenyl]-3-oxoprop-1-enyl]phenyl]benzamide

Formula:C29H20N4O7 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-nitro-N-[3-[(E)-3-[3-[(4-nitrobenzoyl)amino]phenyl]-3-oxoprop-1-enyl]phenyl]benzamide is not a drug-like molecule.

MolName	4-nitro-N-[3-[(E)-3-[3-[(4-nitrobenzoyl)amino]phenyl]-3-oxoprop-1-enyl]phenyl]benzamide
MolecularFormula	C29H20N4O7
Smiles	[O-][N+](c(cc1)ccc1C(Nc1cccc(/C=C/C(c2cccc(NC(c(cc3)ccc3[N+]([O-])=O)=O)c2)=O)c1)=O)=O
InChI	InChI=1S/C29H20N4O7/c34-27(22-4-2-6-24(18-22)31-29(36)21-10-14-26(15-11-21)33(39)40)16-7-19-3-1-5-23(17-19)30-28(35)20-8-12-25(13-9-20)32(37)38/h1-18H,(H,30,35)(H,31,36)
InChIK	MRDQSJXWOSFAHP-UHFFFAOYSA-N
TotalMolweight	536.499
Molweight	536.499
MonoisotopicMass	536.133201
CLogP	3.7556
CLogS	-7.784
H Acceptors	11
H Donors	2
TotalSurfaceArea	402.55
Relative PSA	0.30525
PolarSurfaceArea	166.91
Druglikeness	-3.1197
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.625
Fragments	1
Non HAtoms	40
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	9
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	2
Symmetricatoms	4
Amides	2
AcidicOxygens	2
StereoCon

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