6-[(E)-2-[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]ethenyl]-5-nitro-1H-pyrimidine-2,4-dione

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

MolName	6-[(E)-2-[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]ethenyl]-5-nitro-1H-pyrimidine-2,4-dione
MolecularFormula	C19H13N3O5BrF
Smiles	[O-][N+](C(C(N1)=O)=C(/C=C/c(cc(cc2)Br)c2OCc(cc2)ccc2F)NC1=O)=O
InChI	InChI=1S/C19H13BrFN3O5/c20-13-4-8-16(29-10-11-1-5-14(21)6-2-11)12(9-13)3-7-15-17(24(27)28)18(25)23-19(26)22-15/h1-9H,10H2,(H2,22,23,25,26)
InChIK	HFTBXAGPZPKYLL-UHFFFAOYSA-N
TotalMolweight	462.23
Molweight	462.23
MonoisotopicMass	461.002261
CLogP	2.4701
CLogS	-5.895
H Acceptors	8
H Donors	2
TotalSurfaceArea	299.77
Relative PSA	0.2983
PolarSurfaceArea	113.25
Druglikeness	-6.136
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51724
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	3
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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