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C16H10N3O5F | Cheminformatics
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2-[(E)-2-[5-(4-fluorophenyl)furan-2-yl]ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one

Molecular Formula : C16H10N3O5F | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |
2-[(E)-2-[5-(4-fluorophenyl)furan-2-yl]ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one is a drug-like molecule.

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

MolecularFormula : C16H10N3O5F

Smiles : [O-][N+](C(C(NC(/C=C/c1ccc(-c(cc2)ccc2F)o1)=N1)=O)=C1O)=O

InChI : InChI=1S/C16H10FN3O5/c17-10-3-1-9(2-4-10)12-7-5-11(25-12)6-8-13-18-15(21)14(20(23)24)16(22)19-13/h1-8H,(H2,18,19,21,22)

InChIK : FPEJDNONIMGXQT-UHFFFAOYSA-N

TotalMolweight : 343.269

Molweight : 343.269

MonoisotopicMass : 343.06045

CLogP : 0.9592

CLogS : -5.792

H Acceptors : 8

H Donors : 2

TotalSurfaceArea : 247.18

Relative PSA : 0.37883

PolarSurfaceArea : 120.65

Druglikeness : -2.6765

Mutagenic : high

Tumorigenic : high

Reproductive Effective : none

Irritant : none

Nasty Functions : polar activated DB

Shape Index : 0.64

Fragments : 1

Non HAtoms : 25

NonCHAtoms : 9

Electronegative Atoms : 9

Rotatable Bond : 4

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 11

Sp3Atoms : 2

Symmetricatoms : 2

Amides : 1

BasicNitrogens : 1

AcidicOxygens : 1

StereoCon :

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