(E)-3-(4-nitrophenyl)-N-[2-[4-[(E)-3-(4-nitrophenyl)prop-2-enoyl]piperazin-1-yl]ethyl]prop-2-enamide

Formula:C24H25N5O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(4-nitrophenyl)-N-[2-[4-[(E)-3-(4-nitrophenyl)prop-2-enoyl]piperazin-1-yl]ethyl]prop-2-enamide is not a drug-like molecule.

MolName	(E)-3-(4-nitrophenyl)-N-[2-[4-[(E)-3-(4-nitrophenyl)prop-2-enoyl]piperazin-1-yl]ethyl]prop-2-enamide
MolecularFormula	C24H25N5O6
Smiles	[O-][N+](c1ccc(/C=C/C(NCCN(CC2)CCN2C(/C=C/c(cc2)ccc2[N+]([O-])=O)=O)=O)cc1)=O
InChI	InChI=1S/C24H25N5O6/c30-23(11-5-19-1-7-21(8-2-19)28(32)33)25-13-14-26-15-17-27(18-16-26)24(31)12-6-20-3-9-22(10-4-20)29(34)35/h1-12H,13-18H2,(H,25,30)
InChIK	LGKWLDSACSTQFE-UHFFFAOYSA-N
TotalMolweight	479.492
Molweight	479.492
MonoisotopicMass	479.180485
CLogP	0.2658
CLogS	-3.725
H Acceptors	11
H Donors	1
TotalSurfaceArea	369.98
Relative PSA	0.2851
PolarSurfaceArea	144.29
Druglikeness	1.8241
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.71429
Fragments	1
Non HAtoms	35
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	9
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	9
Symmetricatoms	6
Amides	2
Amines	1
AlkylAmines	1
BasicNitrogens	1
AcidicOxygens	2
StereoCon

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