[4-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]phenyl] furan-2-carboxylate

Formula:C17H11N3O7 Mutagenic:none Tumorigenic:none Reproductive Effective:none [4-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]phenyl] furan-2-carboxylate is a drug-like molecule.

MolName	[4-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]phenyl] furan-2-carboxylate
MolecularFormula	C17H11N3O7
Smiles	[O-][N+](C(C(N1)=O)=C(/C=C/c(cc2)ccc2OC(c2ccco2)=O)NC1=O)=O
InChI	InChI=1S/C17H11N3O7/c21-15-14(20(24)25)12(18-17(23)19-15)8-5-10-3-6-11(7-4-10)27-16(22)13-2-1-9-26-13/h1-9H,(H2,18,19,21,23)
InChIK	BJHSGWPRANCGBP-UHFFFAOYSA-N
TotalMolweight	369.288
Molweight	369.288
MonoisotopicMass	369.059702
CLogP	0.9152
CLogS	-4.558
H Acceptors	10
H Donors	2
TotalSurfaceArea	268.47
Relative PSA	0.4342
PolarSurfaceArea	143.46
Druglikeness	-2.6454
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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