6-[(E)-2-(5-benzyl-2-hydroxy-3-nitrophenyl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione

Formula:C19H14N4O7 Mutagenic:none Tumorigenic:none Reproductive Effective:none 6-[(E)-2-(5-benzyl-2-hydroxy-3-nitrophenyl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione is not a drug-like molecule.

MolName	6-[(E)-2-(5-benzyl-2-hydroxy-3-nitrophenyl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione
MolecularFormula	C19H14N4O7
Smiles	[O-][N+](c1cc(Cc2ccccc2)cc(/C=C/C(NC(NC2=O)=O)=C2[N+]([O-])=O)c1O)=O
InChI	InChI=1S/C19H14N4O7/c24-17-13(6-7-14-16(23(29)30)18(25)21-19(26)20-14)9-12(10-15(17)22(27)28)8-11-4-2-1-3-5-11/h1-7,9-10,24H,8H2,(H2,20,21,25,26)
InChIK	UOIDQZAUEXOETL-UHFFFAOYSA-N
TotalMolweight	410.341
Molweight	410.341
MonoisotopicMass	410.086251
CLogP	0.8446
CLogS	-5.281
H Acceptors	11
H Donors	3
TotalSurfaceArea	294.81
Relative PSA	0.41701
PolarSurfaceArea	170.07
Druglikeness	-2.8999
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.46667
Fragments	1
Non HAtoms	30
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	2
Amides	2
AcidicOxygens	2
StereoCon

Click to Load Molecule:

1 - 6-[(E)-2-(5-benzyl-2-hydroxy-3-nitrophenyl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione | 2 - 6-[(E)-2-(5-benzyl-2-hydroxy-3-nitrophenyl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione

Request More Details | 6-[(E)-2-(5-benzyl-2-hydroxy-3-nitrophenyl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments