[4-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]phenyl] 4-fluorobenzoate

Formula:C19H12N3O6F Mutagenic:none Tumorigenic:none Reproductive Effective:none [4-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]phenyl] 4-fluorobenzoate is a drug-like molecule.

MolName	[4-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]phenyl] 4-fluorobenzoate
MolecularFormula	C19H12N3O6F
Smiles	[O-][N+](C(C(N1)=O)=C(/C=C/c(cc2)ccc2OC(c(cc2)ccc2F)=O)NC1=O)=O
InChI	InChI=1S/C19H12FN3O6/c20-13-6-4-12(5-7-13)18(25)29-14-8-1-11(2-9-14)3-10-15-16(23(27)28)17(24)22-19(26)21-15/h1-10H,(H2,21,22,24,26)
InChIK	YXMFOPAHTYYENQ-UHFFFAOYSA-N
TotalMolweight	397.317
Molweight	397.317
MonoisotopicMass	397.071015
CLogP	1.8273
CLogS	-5.19
H Acceptors	9
H Donors	2
TotalSurfaceArea	285.13
Relative PSA	0.35934
PolarSurfaceArea	130.32
Druglikeness	-4.155
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.58621
Fragments	1
Non HAtoms	29
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	4
Amides	2
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - [4-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]phenyl] 4-fluorobenzoate | 2 - [4-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]phenyl] 4-fluorobenzoate

Request More Details | [4-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]phenyl] 4-fluorobenzoate

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments