(2E,4E)-2-(4-fluorophenyl)-5-(2-nitrophenyl)penta-2,4-dienenitrile

Formula:C17H11N2O2F Mutagenic:none Tumorigenic:low Reproductive Effective:low (2E,4E)-2-(4-fluorophenyl)-5-(2-nitrophenyl)penta-2,4-dienenitrile is a drug-like molecule.

MolName	(2E,4E)-2-(4-fluorophenyl)-5-(2-nitrophenyl)penta-2,4-dienenitrile
MolecularFormula	C17H11N2O2F
Smiles	N#C/C(/c(cc1)ccc1F)=C/C=C/c(cccc1)c1[N+]([O-])=O
InChI	InChI=1S/C17H11FN2O2/c18-16-10-8-13(9-11-16)15(12-19)6-3-5-14-4-1-2-7-17(14)20(21)22/h1-11H
InChIK	HEQHCRHFAIGYNT-UHFFFAOYSA-N
TotalMolweight	294.284
Molweight	294.284
MonoisotopicMass	294.080456
CLogP	3.1684
CLogS	-4.715
H Acceptors	4
TotalSurfaceArea	235.96
Relative PSA	0.18639
PolarSurfaceArea	69.61
Druglikeness	-11.175
Mutagenic	none
Tumorigenic	low
Reproductive Effective	low
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.59091
Fragments	1
Non HAtoms	22
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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