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

Formula:C17H12N2O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (2E,4E)-2-(3-nitrophenyl)-5-phenylpenta-2,4-dienenitrile is a drug-like molecule.

MolName	(2E,4E)-2-(3-nitrophenyl)-5-phenylpenta-2,4-dienenitrile
MolecularFormula	C17H12N2O2
Smiles	N#C/C(/c1cccc([N+]([O-])=O)c1)=C/C=C/c1ccccc1
InChI	InChI=1S/C17H12N2O2/c18-13-16(10-4-8-14-6-2-1-3-7-14)15-9-5-11-17(12-15)19(20)21/h1-12H
InChIK	DFESUVNJTCYYGF-UHFFFAOYSA-N
TotalMolweight	276.294
Molweight	276.294
MonoisotopicMass	276.089878
CLogP	3.0676
CLogS	-4.401
H Acceptors	4
TotalSurfaceArea	229.61
Relative PSA	0.19154
PolarSurfaceArea	69.61
Druglikeness	-9.835
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	aromatic nitro
Shape Index	0.61905
Fragments	1
Non HAtoms	21
NonCHAtoms	4
Electronegative Atoms	4
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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