5-nitro-6-[(E)-2-(4-oxochromen-3-yl)ethenyl]-1H-pyrimidine-2,4-dione

Formula:C15H9N3O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-nitro-6-[(E)-2-(4-oxochromen-3-yl)ethenyl]-1H-pyrimidine-2,4-dione is a drug-like molecule.

MolName	5-nitro-6-[(E)-2-(4-oxochromen-3-yl)ethenyl]-1H-pyrimidine-2,4-dione
MolecularFormula	C15H9N3O6
Smiles	[O-][N+](C(C(N1)=O)=C(/C=C/C2=COc(cccc3)c3C2=O)NC1=O)=O
InChI	InChI=1S/C15H9N3O6/c19-13-8(7-24-11-4-2-1-3-9(11)13)5-6-10-12(18(22)23)14(20)17-15(21)16-10/h1-7H,(H2,16,17,20,21)
InChIK	PKTWEXSAXMPPNB-UHFFFAOYSA-N
TotalMolweight	327.251
Molweight	327.251
MonoisotopicMass	327.049137
CLogP	0.0517
CLogS	-3.976
H Acceptors	9
H Donors	2
TotalSurfaceArea	230.23
Relative PSA	0.44503
PolarSurfaceArea	130.32
Druglikeness	-2.18
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	24
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	2
Amides	2
AcidicOxygens	1
StereoCon

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