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

Formula:C16H11N3O5 Mutagenic:low Tumorigenic:high Reproductive Effective:none 5-nitro-6-[(E)-2-(5-phenylfuran-2-yl)ethenyl]-1H-pyrimidine-2,4-dione is a drug-like molecule.

MolName	5-nitro-6-[(E)-2-(5-phenylfuran-2-yl)ethenyl]-1H-pyrimidine-2,4-dione
MolecularFormula	C16H11N3O5
Smiles	[O-][N+](C(C(N1)=O)=C(/C=C/c2ccc(-c3ccccc3)o2)NC1=O)=O
InChI	InChI=1S/C16H11N3O5/c20-15-14(19(22)23)12(17-16(21)18-15)8-6-11-7-9-13(24-11)10-4-2-1-3-5-10/h1-9H,(H2,17,18,20,21)
InChIK	IVCGBAJZLINLEK-UHFFFAOYSA-N
TotalMolweight	325.279
Molweight	325.279
MonoisotopicMass	325.069872
CLogP	1.2349
CLogS	-4.866
H Acceptors	8
H Donors	2
TotalSurfaceArea	240.72
Relative PSA	0.38854
PolarSurfaceArea	117.16
Druglikeness	-1.6176
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.54167
Fragments	1
Non HAtoms	24
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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