4-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-2-nitrophenolate
Formula:C10H6N3O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-2-nitrophenolate is a drug-like molecule.
| MolName | 4-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-2-nitrophenolate |
| MolecularFormula | C10H6N3O5 |
| Smiles | [O-]c(ccc(/C=C(/C(N1)=O)\NC1=O)c1)c1[N+]([O-])=O |
| InChI | InChI=1S/C10H7N3O5/c14-8-2-1-5(4-7(8)13(17)18)3-6-9(15)12-10(16)11-6/h1-4,14H,(H2,11,12,15,16)/p-1 |
| InChIK | BDFAXSQHSAMCFA-UHFFFAOYSA-M |
| TotalMolweight | 248.174 |
| Molweight | 248.174 |
| MonoisotopicMass | 248.030747 |
| CLogP | -1.977 |
| CLogS | -2.9 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 174.09 |
| Relative PSA | 0.53823 |
| PolarSurfaceArea | 127.08 |
| Druglikeness | -1.9047 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 4-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-2-nitrophenolate | 2 - 4-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-2-nitrophenolate
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