2-[5-[(Z)-2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)ethenyl]furan-2-yl]benzonitrile

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

MolName	2-[5-[(Z)-2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)ethenyl]furan-2-yl]benzonitrile
MolecularFormula	C17H10N4O5
Smiles	N#Cc(cccc1)c1-c1ccc(/C=C\C(NC2=O)=NC(O)=C2[N+]([O-])=O)o1
InChI	InChI=1S/C17H10N4O5/c18-9-10-3-1-2-4-12(10)13-7-5-11(26-13)6-8-14-19-16(22)15(21(24)25)17(23)20-14/h1-8H,(H2,19,20,22,23)
InChIK	QUFBCEBHGUHEIM-UHFFFAOYSA-N
TotalMolweight	350.289
Molweight	350.289
MonoisotopicMass	350.065121
CLogP	0.694
CLogS	-6.251
H Acceptors	9
H Donors	2
TotalSurfaceArea	262.54
Relative PSA	0.40832
PolarSurfaceArea	144.44
Druglikeness	-5.6165
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB
Shape Index	0.57692
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	2
Amides	1
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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