(5E)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
Formula:C10H7N3O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(5E)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one is a drug-like molecule.
| MolName | (5E)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one |
| MolecularFormula | C10H7N3O4S |
| Smiles | [O-][N+](c(cc(/C=C(\C(N1)=O)/NC1=S)cc1)c1O)=O |
| InChI | InChI=1S/C10H7N3O4S/c14-8-2-1-5(4-7(8)13(16)17)3-6-9(15)12-10(18)11-6/h1-4,14H,(H2,11,12,15,18) |
| InChIK | VEMMROLCMCLFFI-UHFFFAOYSA-N |
| TotalMolweight | 265.249 |
| Molweight | 265.249 |
| MonoisotopicMass | 265.015727 |
| CLogP | -0.0385 |
| CLogS | -2.984 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 187.87 |
| Relative PSA | 0.5721 |
| PolarSurfaceArea | 139.27 |
| Druglikeness | -2.9129 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; thio-amide/urea |
| 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 | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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