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

Formula:C12H8N3O4I Mutagenic:none Tumorigenic:none Reproductive Effective:none 6-[(E)-2-(3-iodophenyl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione is a drug-like molecule.

MolName	6-[(E)-2-(3-iodophenyl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione
MolecularFormula	C12H8N3O4I
Smiles	[O-][N+](C(C(N1)=O)=C(/C=C/c2cccc(I)c2)NC1=O)=O
InChI	InChI=1S/C12H8IN3O4/c13-8-3-1-2-7(6-8)4-5-9-10(16(19)20)11(17)15-12(18)14-9/h1-6H,(H2,14,15,17,18)
InChIK	LPEMWCDNPZVDGN-UHFFFAOYSA-N
TotalMolweight	385.113
Molweight	385.113
MonoisotopicMass	384.955955
CLogP	0.7331
CLogS	-4.422
H Acceptors	7
H Donors	2
TotalSurfaceArea	217.55
Relative PSA	0.36507
PolarSurfaceArea	104.02
Druglikeness	-2.3577
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	20
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	1
Amides	2
AcidicOxygens	1
StereoCon

Click to Load Molecule:

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

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

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments