(5E)-5-[[4-(5-nitropyridin-2-yl)oxyphenyl]methylidene]imidazolidine-2,4-dione
Formula:C15H10N4O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-5-[[4-(5-nitropyridin-2-yl)oxyphenyl]methylidene]imidazolidine-2,4-dione is a drug-like molecule.
| MolName | (5E)-5-[[4-(5-nitropyridin-2-yl)oxyphenyl]methylidene]imidazolidine-2,4-dione |
| MolecularFormula | C15H10N4O5 |
| Smiles | [O-][N+](c(cc1)cnc1Oc1ccc(/C=C(\C(N2)=O)/NC2=O)cc1)=O |
| InChI | InChI=1S/C15H10N4O5/c20-14-12(17-15(21)18-14)7-9-1-4-11(5-2-9)24-13-6-3-10(8-16-13)19(22)23/h1-8H,(H2,17,18,20,21) |
| InChIK | BGCVFCFAOWRMLS-UHFFFAOYSA-N |
| TotalMolweight | 326.267 |
| Molweight | 326.267 |
| MonoisotopicMass | 326.065121 |
| CLogP | 0.6928 |
| CLogS | -5.223 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 235.08 |
| Relative PSA | 0.42705 |
| PolarSurfaceArea | 126.14 |
| Druglikeness | -1.9291 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (5E)-5-[[4-(5-nitropyridin-2-yl)oxyphenyl]methylidene]imidazolidine-2,4-dione | 2 - (5E)-5-[[4-(5-nitropyridin-2-yl)oxyphenyl]methylidene]imidazolidine-2,4-dione
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off