(1E,4E)-1-(3-nitrophenyl)-5-phenylpenta-1,4-dien-3-one

Formula:C17H13NO3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (1E,4E)-1-(3-nitrophenyl)-5-phenylpenta-1,4-dien-3-one is a drug-like molecule.

MolName	(1E,4E)-1-(3-nitrophenyl)-5-phenylpenta-1,4-dien-3-one
MolecularFormula	C17H13NO3
Smiles	[O-][N+](c1cc(/C=C/C(/C=C/c2ccccc2)=O)ccc1)=O
InChI	InChI=1S/C17H13NO3/c19-17(11-9-14-5-2-1-3-6-14)12-10-15-7-4-8-16(13-15)18(20)21/h1-13H
InChIK	JFHFOSZIVUMHSZ-UHFFFAOYSA-N
TotalMolweight	279.294
Molweight	279.294
MonoisotopicMass	279.089544
CLogP	3.003
CLogS	-4.446
H Acceptors	4
TotalSurfaceArea	227.44
Relative PSA	0.19108
PolarSurfaceArea	62.89
Druglikeness	-4.4975
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.66667
Fragments	1
Non HAtoms	21
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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