1,5-dinitro-2,4-bis[(E)-2-phenylethenyl]benzene

Formula:C22H16N2O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1,5-dinitro-2,4-bis[(E)-2-phenylethenyl]benzene is a drug-like molecule.

MolName	1,5-dinitro-2,4-bis[(E)-2-phenylethenyl]benzene
MolecularFormula	C22H16N2O4
Smiles	[O-][N+](c1cc([N+]([O-])=O)c(/C=C/c2ccccc2)cc1/C=C/c1ccccc1)=O
InChI	InChI=1S/C22H16N2O4/c25-23(26)21-16-22(24(27)28)20(14-12-18-9-5-2-6-10-18)15-19(21)13-11-17-7-3-1-4-8-17/h1-16H
InChIK	XRQIISCOFYUANL-UHFFFAOYSA-N
TotalMolweight	372.379
Molweight	372.379
MonoisotopicMass	372.111008
CLogP	4.2304
CLogS	-6.808
H Acceptors	6
TotalSurfaceArea	293.12
Relative PSA	0.20756
PolarSurfaceArea	91.64
Druglikeness	-6.9544
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.53571
Fragments	1
Non HAtoms	28
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	15
AcidicOxygens	2
StereoCon

Click to Load Molecule:

1 - 1,5-dinitro-2,4-bis[(E)-2-phenylethenyl]benzene | 2 - 1,5-dinitro-2,4-bis[(E)-2-phenylethenyl]benzene

Request More Details | 1,5-dinitro-2,4-bis[(E)-2-phenylethenyl]benzene

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments