(Z)-3-[4-[2-(4-nitrophenoxy)ethoxy]phenyl]-2-(4-nitrophenyl)prop-2-enenitrile

Formula:C23H17N3O6 Mutagenic:none Tumorigenic:low Reproductive Effective:high (Z)-3-[4-[2-(4-nitrophenoxy)ethoxy]phenyl]-2-(4-nitrophenyl)prop-2-enenitrile is a drug-like molecule.

MolName	(Z)-3-[4-[2-(4-nitrophenoxy)ethoxy]phenyl]-2-(4-nitrophenyl)prop-2-enenitrile
MolecularFormula	C23H17N3O6
Smiles	N#C/C(/c(cc1)ccc1[N+]([O-])=O)=C\c(cc1)ccc1OCCOc(cc1)ccc1[N+]([O-])=O
InChI	InChI=1S/C23H17N3O6/c24-16-19(18-3-5-20(6-4-18)25(27)28)15-17-1-9-22(10-2-17)31-13-14-32-23-11-7-21(8-12-23)26(29)30/h1-12,15H,13-14H2
InChIK	YBFVUPNZEMWMPG-UHFFFAOYSA-N
TotalMolweight	431.403
Molweight	431.403
MonoisotopicMass	431.111737
CLogP	2.8444
CLogS	-5.817
H Acceptors	9
TotalSurfaceArea	334.06
Relative PSA	0.28258
PolarSurfaceArea	133.89
Druglikeness	-17.211
Mutagenic	none
Tumorigenic	low
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.6875
Fragments	1
Non HAtoms	32
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	9
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	6
Symmetricatoms	6
AcidicOxygens	2
StereoCon

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