4-[(E)-3-(4-nitrophenyl)prop-2-enoyl]oxybutyl (E)-3-(4-nitrophenyl)prop-2-enoate

Formula:C22H20N2O8 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(E)-3-(4-nitrophenyl)prop-2-enoyl]oxybutyl (E)-3-(4-nitrophenyl)prop-2-enoate is a drug-like molecule.

MolName	4-[(E)-3-(4-nitrophenyl)prop-2-enoyl]oxybutyl (E)-3-(4-nitrophenyl)prop-2-enoate
MolecularFormula	C22H20N2O8
Smiles	[O-][N+](c1ccc(/C=C/C(OCCCCOC(/C=C/c(cc2)ccc2[N+]([O-])=O)=O)=O)cc1)=O
InChI	InChI=1S/C22H20N2O8/c25-21(13-7-17-3-9-19(10-4-17)23(27)28)31-15-1-2-16-32-22(26)14-8-18-5-11-20(12-6-18)24(29)30/h3-14H,1-2,15-16H2
InChIK	JQNBUJKPUOPUCT-UHFFFAOYSA-N
TotalMolweight	440.407
Molweight	440.407
MonoisotopicMass	440.121968
CLogP	2.7046
CLogS	-5.33
H Acceptors	10
TotalSurfaceArea	343.9
Relative PSA	0.3109
PolarSurfaceArea	144.24
Druglikeness	-12.956
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.75
Fragments	1
Non HAtoms	32
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	13
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Symmetricatoms	18
AcidicOxygens	2
StereoCon

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