1-nitro-3-[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene

Formula:C16H13NO2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-nitro-3-[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene is a drug-like molecule.

MolName	1-nitro-3-[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene
MolecularFormula	C16H13NO2
Smiles	[O-][N+](c1cc(/C=C/C=C/c2ccccc2)ccc1)=O
InChI	InChI=1S/C16H13NO2/c18-17(19)16-12-6-11-15(13-16)10-5-4-9-14-7-2-1-3-8-14/h1-13H
InChIK	BGLYLUXCFVPGNA-UHFFFAOYSA-N
TotalMolweight	251.284
Molweight	251.284
MonoisotopicMass	251.094629
CLogP	3.6016
CLogS	-4.524
H Acceptors	3
TotalSurfaceArea	209.69
Relative PSA	0.14507
PolarSurfaceArea	45.82
Druglikeness	-6.5306
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	aromatic nitro
Shape Index	0.68421
Fragments	1
Non HAtoms	19
NonCHAtoms	3
Electronegative Atoms	3
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	2
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - 1-nitro-3-[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene | 2 - 1-nitro-3-[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene

Request More Details | 1-nitro-3-[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments