(5Z)-5-[(2-hydroxy-5-nitrophenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one
Formula:C16H11N3O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[(2-hydroxy-5-nitrophenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-[(2-hydroxy-5-nitrophenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one |
| MolecularFormula | C16H11N3O4S |
| Smiles | [O-][N+](c(cc1)cc(/C=C(/C(N2c3ccccc3)=O)\NC2=S)c1O)=O |
| InChI | InChI=1S/C16H11N3O4S/c20-14-7-6-12(19(22)23)8-10(14)9-13-15(21)18(16(24)17-13)11-4-2-1-3-5-11/h1-9,20H,(H,17,24) |
| InChIK | HBKDIINMVXTTNE-UHFFFAOYSA-N |
| TotalMolweight | 341.346 |
| Molweight | 341.346 |
| MonoisotopicMass | 341.047027 |
| CLogP | 1.7096 |
| CLogS | -4.467 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 246.47 |
| Relative PSA | 0.40398 |
| PolarSurfaceArea | 130.48 |
| Druglikeness | -2.3059 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; thio-amide/urea |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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