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

Formula:C23H18N2O4 Mutagenic:none Tumorigenic:low Reproductive Effective:high (Z)-2-(4-nitrophenyl)-3-[3-(2-phenoxyethoxy)phenyl]prop-2-enenitrile is a drug-like molecule.

MolName	(Z)-2-(4-nitrophenyl)-3-[3-(2-phenoxyethoxy)phenyl]prop-2-enenitrile
MolecularFormula	C23H18N2O4
Smiles	N#C/C(/c(cc1)ccc1[N+]([O-])=O)=C\c1cc(OCCOc2ccccc2)ccc1
InChI	InChI=1S/C23H18N2O4/c24-17-20(19-9-11-21(12-10-19)25(26)27)15-18-5-4-8-23(16-18)29-14-13-28-22-6-2-1-3-7-22/h1-12,15-16H,13-14H2
InChIK	BSDGLQFJSFYQOY-UHFFFAOYSA-N
TotalMolweight	386.406
Molweight	386.406
MonoisotopicMass	386.126658
CLogP	3.766
CLogS	-5.357
H Acceptors	6
TotalSurfaceArea	310.39
Relative PSA	0.20613
PolarSurfaceArea	88.07
Druglikeness	-17.211
Mutagenic	none
Tumorigenic	low
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.65517
Fragments	1
Non HAtoms	29
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	5
Symmetricatoms	4
AcidicOxygens	1
StereoCon

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