2-[(E)-2-[5-(3-chloro-4-fluorophenyl)furan-2-yl]ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one

Formula:C16H9N3O5ClF Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-[(E)-2-[5-(3-chloro-4-fluorophenyl)furan-2-yl]ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one is a drug-like molecule.

MolName	2-[(E)-2-[5-(3-chloro-4-fluorophenyl)furan-2-yl]ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one
MolecularFormula	C16H9N3O5ClF
Smiles	[O-][N+](C(C(NC(/C=C/c1ccc(-c(cc2)cc(Cl)c2F)o1)=N1)=O)=C1O)=O
InChI	InChI=1S/C16H9ClFN3O5/c17-10-7-8(1-4-11(10)18)12-5-2-9(26-12)3-6-13-19-15(22)14(21(24)25)16(23)20-13/h1-7H,(H2,19,20,22,23)
InChIK	QPYZOSBZCSTWSI-UHFFFAOYSA-N
TotalMolweight	377.714
Molweight	377.714
MonoisotopicMass	377.021477
CLogP	1.5652
CLogS	-6.528
H Acceptors	8
H Donors	2
TotalSurfaceArea	262.6
Relative PSA	0.35659
PolarSurfaceArea	120.65
Druglikeness	-2.6091
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	10
Electronegative Atoms	10
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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