5-nitro-6-[(Z)-2-[3-(2-phenoxyethoxy)phenyl]ethenyl]-1H-pyrimidine-2,4-dione

Formula:C20H17N3O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-nitro-6-[(Z)-2-[3-(2-phenoxyethoxy)phenyl]ethenyl]-1H-pyrimidine-2,4-dione is a drug-like molecule.

MolName	5-nitro-6-[(Z)-2-[3-(2-phenoxyethoxy)phenyl]ethenyl]-1H-pyrimidine-2,4-dione
MolecularFormula	C20H17N3O6
Smiles	[O-][N+](C(C(N1)=O)=C(/C=C\c2cc(OCCOc3ccccc3)ccc2)NC1=O)=O
InChI	InChI=1S/C20H17N3O6/c24-19-18(23(26)27)17(21-20(25)22-19)10-9-14-5-4-8-16(13-14)29-12-11-28-15-6-2-1-3-7-15/h1-10,13H,11-12H2,(H2,21,22,24,25)
InChIK	SORDRPRZLHGNLL-UHFFFAOYSA-N
TotalMolweight	395.37
Molweight	395.37
MonoisotopicMass	395.111737
CLogP	1.651
CLogS	-4.674
H Acceptors	9
H Donors	2
TotalSurfaceArea	298.55
Relative PSA	0.33301
PolarSurfaceArea	122.48
Druglikeness	-9.886
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.58621
Fragments	1
Non HAtoms	29
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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