(E)-3-(4-nitrophenyl)-1-[4-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-1,4-diazepan-1-yl]prop-2-en-1-one

Formula:C23H22N4O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(4-nitrophenyl)-1-[4-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-1,4-diazepan-1-yl]prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(4-nitrophenyl)-1-[4-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-1,4-diazepan-1-yl]prop-2-en-1-one
MolecularFormula	C23H22N4O6
Smiles	[O-][N+](c1ccc(/C=C/C(N(CCC2)CCN2C(/C=C/c(cc2)ccc2[N+]([O-])=O)=O)=O)cc1)=O
InChI	InChI=1S/C23H22N4O6/c28-22(12-6-18-2-8-20(9-3-18)26(30)31)24-14-1-15-25(17-16-24)23(29)13-7-19-4-10-21(11-5-19)27(32)33/h2-13H,1,14-17H2
InChIK	BRSLPYPKFYKKPG-UHFFFAOYSA-N
TotalMolweight	450.45
Molweight	450.45
MonoisotopicMass	450.153936
CLogP	2.101
CLogS	-4.21
H Acceptors	10
TotalSurfaceArea	344.76
Relative PSA	0.27271
PolarSurfaceArea	132.26
Druglikeness	-2.2081
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.66667
Fragments	1
Non HAtoms	33
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Symmetricatoms	18
Amides	2
AcidicOxygens	2
StereoCon

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1 - (E)-3-(4-nitrophenyl)-1-[4-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-1,4-diazepan-1-yl]prop-2-en-1-one | 2 - (E)-3-(4-nitrophenyl)-1-[4-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-1,4-diazepan-1-yl]prop-2-en-1-one

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