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

Formula:C17H10N4O5 Mutagenic:low Tumorigenic:high Reproductive Effective:none 2-[5-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]furan-2-yl]benzonitrile is a drug-like molecule.

MolName	2-[5-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]furan-2-yl]benzonitrile
MolecularFormula	C17H10N4O5
Smiles	N#Cc(cccc1)c1-c1ccc(/C=C/C(NC(NC2=O)=O)=C2[N+]([O-])=O)o1
InChI	InChI=1S/C17H10N4O5/c18-9-10-3-1-2-4-12(10)14-8-6-11(26-14)5-7-13-15(21(24)25)16(22)20-17(23)19-13/h1-8H,(H2,19,20,22,23)
InChIK	SQQZGLVXGBPHCU-UHFFFAOYSA-N
TotalMolweight	350.289
Molweight	350.289
MonoisotopicMass	350.065121
CLogP	1.0705
CLogS	-5.639
H Acceptors	9
H Donors	2
TotalSurfaceArea	262.43
Relative PSA	0.40807
PolarSurfaceArea	140.95
Druglikeness	-5.8976
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	26
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
Amides	2
AcidicOxygens	1
StereoCon

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