(5E)-3-[(2-fluorophenyl)methyl]-5-[(2-hydroxy-5-nitrophenyl)methylidene]imidazolidine-2,4-dione
Formula:C17H12N3O5F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-3-[(2-fluorophenyl)methyl]-5-[(2-hydroxy-5-nitrophenyl)methylidene]imidazolidine-2,4-dione is a drug-like molecule.
| MolName | (5E)-3-[(2-fluorophenyl)methyl]-5-[(2-hydroxy-5-nitrophenyl)methylidene]imidazolidine-2,4-dione |
| MolecularFormula | C17H12N3O5F |
| Smiles | [O-][N+](c(cc1)cc(/C=C(\C(N2Cc(cccc3)c3F)=O)/NC2=O)c1O)=O |
| InChI | InChI=1S/C17H12FN3O5/c18-13-4-2-1-3-10(13)9-20-16(23)14(19-17(20)24)8-11-7-12(21(25)26)5-6-15(11)22/h1-8,22H,9H2,(H,19,24) |
| InChIK | XLEBKQWWZYVUIE-UHFFFAOYSA-N |
| TotalMolweight | 357.296 |
| Molweight | 357.296 |
| MonoisotopicMass | 357.0761 |
| CLogP | 1.3728 |
| CLogS | -4.175 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 251.62 |
| Relative PSA | 0.33626 |
| PolarSurfaceArea | 115.46 |
| Druglikeness | -1.5238 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (5E)-3-[(2-fluorophenyl)methyl]-5-[(2-hydroxy-5-nitrophenyl)methylidene]imidazolidine-2,4-dione | 2 - (5E)-3-[(2-fluorophenyl)methyl]-5-[(2-hydroxy-5-nitrophenyl)methylidene]imidazolidine-2,4-dione
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