6-[(1E,3E)-4-(furan-2-yl)buta-1,3-dienyl]-5-nitro-1H-pyrimidine-2,4-dione

Formula:C12H9N3O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none 6-[(1E,3E)-4-(furan-2-yl)buta-1,3-dienyl]-5-nitro-1H-pyrimidine-2,4-dione is a drug-like molecule.

MolName	6-[(1E,3E)-4-(furan-2-yl)buta-1,3-dienyl]-5-nitro-1H-pyrimidine-2,4-dione
MolecularFormula	C12H9N3O5
Smiles	[O-][N+](C(C(N1)=O)=C(/C=C/C=C/c2ccco2)NC1=O)=O
InChI	InChI=1S/C12H9N3O5/c16-11-10(15(18)19)9(13-12(17)14-11)6-2-1-4-8-5-3-7-20-8/h1-7H,(H2,13,14,16,17)
InChIK	WTPFPSUVWWELGL-UHFFFAOYSA-N
TotalMolweight	275.219
Molweight	275.219
MonoisotopicMass	275.054222
CLogP	0.1413
CLogS	-3.4
H Acceptors	8
H Donors	2
TotalSurfaceArea	207.46
Relative PSA	0.45083
PolarSurfaceArea	117.16
Druglikeness	-2.6583
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55
Fragments	1
Non HAtoms	20
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	5
Sp3Atoms	1
Amides	2
AcidicOxygens	1
StereoCon

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