(2E,4E)-5-(2-nitrophenyl)-2-(3-nitrophenyl)penta-2,4-dienenitrile

Formula:C17H11N3O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none (2E,4E)-5-(2-nitrophenyl)-2-(3-nitrophenyl)penta-2,4-dienenitrile is a drug-like molecule.

MolName	(2E,4E)-5-(2-nitrophenyl)-2-(3-nitrophenyl)penta-2,4-dienenitrile
MolecularFormula	C17H11N3O4
Smiles	N#C/C(/c1cc([N+]([O-])=O)ccc1)=C/C=C/c(cccc1)c1[N+]([O-])=O
InChI	InChI=1S/C17H11N3O4/c18-12-15(14-7-4-9-16(11-14)19(21)22)8-3-6-13-5-1-2-10-17(13)20(23)24/h1-11H
InChIK	WIMBJYMWMUFOLE-UHFFFAOYSA-N
TotalMolweight	321.291
Molweight	321.291
MonoisotopicMass	321.074957
CLogP	2.146
CLogS	-4.861
H Acceptors	7
TotalSurfaceArea	253.28
Relative PSA	0.29375
PolarSurfaceArea	115.43
Druglikeness	-9.835
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.54167
Fragments	1
Non HAtoms	24
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
AcidicOxygens	2
StereoCon

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