2-[(E)-2-[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one

Formula:C19H13N3O5BrF Mutagenic:high Tumorigenic:none Reproductive Effective:none 2-[(E)-2-[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one is a drug-like molecule.

MolName	2-[(E)-2-[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one
MolecularFormula	C19H13N3O5BrF
Smiles	[O-][N+](C(C(NC(/C=C/c(cc(cc1)Br)c1OCc(cc1)ccc1F)=N1)=O)=C1O)=O
InChI	InChI=1S/C19H13BrFN3O5/c20-13-4-7-15(29-10-11-1-5-14(21)6-2-11)12(9-13)3-8-16-22-18(25)17(24(27)28)19(26)23-16/h1-9H,10H2,(H2,22,23,25,26)
InChIK	OCVYRNRBMSSEFP-UHFFFAOYSA-N
TotalMolweight	462.23
Molweight	462.23
MonoisotopicMass	461.002261
CLogP	2.0936
CLogS	-6.507
H Acceptors	8
H Donors	2
TotalSurfaceArea	299.88
Relative PSA	0.29855
PolarSurfaceArea	116.74
Druglikeness	-5.8337
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB
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	4
Symmetricatoms	2
Amides	1
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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1 - 2-[(E)-2-[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one | 2 - 2-[(E)-2-[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one

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