(5Z)-5-[(5-nitrofuran-2-yl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
Formula:C20H13N3O4S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(5Z)-5-[(5-nitrofuran-2-yl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-[(5-nitrofuran-2-yl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one |
| MolecularFormula | C20H13N3O4S |
| Smiles | [O-][N+](c1ccc(/C=C(/C(N2c3ccccc3)=O)\S/C2=N\c2ccccc2)o1)=O |
| InChI | InChI=1S/C20H13N3O4S/c24-19-17(13-16-11-12-18(27-16)23(25)26)28-20(21-14-7-3-1-4-8-14)22(19)15-9-5-2-6-10-15/h1-13H |
| InChIK | OTTNLVHZXSQNIQ-UHFFFAOYSA-N |
| TotalMolweight | 391.406 |
| Molweight | 391.406 |
| MonoisotopicMass | 391.062677 |
| CLogP | 3.2965 |
| CLogS | -6.517 |
| H Acceptors | 7 |
| TotalSurfaceArea | 285.86 |
| Relative PSA | 0.31526 |
| PolarSurfaceArea | 116.93 |
| Druglikeness | 0.055852 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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