(5Z)-5-[(3-nitrophenyl)methylidene]-3-[(Z)-(3-nitrophenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C17H10N4O5S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[(3-nitrophenyl)methylidene]-3-[(Z)-(3-nitrophenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-[(3-nitrophenyl)methylidene]-3-[(Z)-(3-nitrophenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C17H10N4O5S2 |
| Smiles | [O-][N+](c1cccc(/C=C(/C(N2/N=C\c3cc([N+]([O-])=O)ccc3)=O)\SC2=S)c1)=O |
| InChI | InChI=1S/C17H10N4O5S2/c22-16-15(9-11-3-1-5-13(7-11)20(23)24)28-17(27)19(16)18-10-12-4-2-6-14(8-12)21(25)26/h1-10H |
| InChIK | XQXVZALZZYMHOR-UHFFFAOYSA-N |
| TotalMolweight | 414.421 |
| Molweight | 414.421 |
| MonoisotopicMass | 414.009261 |
| CLogP | 1.212 |
| CLogS | -6.015 |
| H Acceptors | 9 |
| TotalSurfaceArea | 294.58 |
| Relative PSA | 0.45634 |
| PolarSurfaceArea | 181.7 |
| Druglikeness | -0.25241 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| AcidicOxygens | 2 |
| StereoCon |
Click to Load Molecule:
1 - (5Z)-5-[(3-nitrophenyl)methylidene]-3-[(Z)-(3-nitrophenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[(3-nitrophenyl)methylidene]-3-[(Z)-(3-nitrophenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off