(5E)-5-[(3-nitrophenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one
Formula:C16H11N3O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-5-[(3-nitrophenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one is a drug-like molecule.
| MolName | (5E)-5-[(3-nitrophenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one |
| MolecularFormula | C16H11N3O3S |
| Smiles | [O-][N+](c1cccc(/C=C(\C(N2c3ccccc3)=O)/NC2=S)c1)=O |
| InChI | InChI=1S/C16H11N3O3S/c20-15-14(10-11-5-4-8-13(9-11)19(21)22)17-16(23)18(15)12-6-2-1-3-7-12/h1-10H,(H,17,23) |
| InChIK | FPILVAHOEJISCY-UHFFFAOYSA-N |
| TotalMolweight | 325.347 |
| Molweight | 325.347 |
| MonoisotopicMass | 325.052112 |
| CLogP | 2.0553 |
| CLogS | -4.763 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 240.12 |
| Relative PSA | 0.36011 |
| PolarSurfaceArea | 110.25 |
| Druglikeness | -2.3339 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; thio-amide/urea |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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