6-[(E)-2-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]ethenyl]-5-nitro-1H-pyrimidine-2,4-dione

Formula:C19H13N3O5ClF Mutagenic:none Tumorigenic:none Reproductive Effective:none 6-[(E)-2-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]ethenyl]-5-nitro-1H-pyrimidine-2,4-dione is a drug-like molecule.

MolName	6-[(E)-2-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]ethenyl]-5-nitro-1H-pyrimidine-2,4-dione
MolecularFormula	C19H13N3O5ClF
Smiles	[O-][N+](C(C(N1)=O)=C(/C=C/c2cccc(OCc(c(F)ccc3)c3Cl)c2)NC1=O)=O
InChI	InChI=1S/C19H13ClFN3O5/c20-14-5-2-6-15(21)13(14)10-29-12-4-1-3-11(9-12)7-8-16-17(24(27)28)18(25)23-19(26)22-16/h1-9H,10H2,(H2,22,23,25,26)
InChIK	FLNGCIDWKHKSHW-UHFFFAOYSA-N
TotalMolweight	417.779
Molweight	417.779
MonoisotopicMass	417.052777
CLogP	2.3509
CLogS	-5.797
H Acceptors	8
H Donors	2
TotalSurfaceArea	296.56
Relative PSA	0.30152
PolarSurfaceArea	113.25
Druglikeness	-4.2614
Mutagenic	none
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
Amides	2
AcidicOxygens	1
StereoCon

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