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

Formula:C17H12N2O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none (1E,4E)-1,5-bis(4-nitrophenyl)penta-1,4-dien-3-one is a drug-like molecule.

MolName	(1E,4E)-1,5-bis(4-nitrophenyl)penta-1,4-dien-3-one
MolecularFormula	C17H12N2O5
Smiles	[O-][N+](c1ccc(/C=C/C(/C=C/c(cc2)ccc2[N+]([O-])=O)=O)cc1)=O
InChI	InChI=1S/C17H12N2O5/c20-17(11-5-13-1-7-15(8-2-13)18(21)22)12-6-14-3-9-16(10-4-14)19(23)24/h1-12H
InChIK	GAYVSOQPSTXBFI-UHFFFAOYSA-N
TotalMolweight	324.291
Molweight	324.291
MonoisotopicMass	324.074623
CLogP	2.0814
CLogS	-4.906
H Acceptors	7
TotalSurfaceArea	251.11
Relative PSA	0.29421
PolarSurfaceArea	108.71
Druglikeness	-4.4975
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.70833
Fragments	1
Non HAtoms	24
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	13
AcidicOxygens	2
StereoCon

Click to Load Molecule:

1 - (1E,4E)-1,5-bis(4-nitrophenyl)penta-1,4-dien-3-one | 2 - (1E,4E)-1,5-bis(4-nitrophenyl)penta-1,4-dien-3-one

Request More Details | (1E,4E)-1,5-bis(4-nitrophenyl)penta-1,4-dien-3-one

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments