4-nitro-2-[(Z)-[(5Z)-4-oxo-5-[(3-phenoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]iminomethyl]phenolate
Formula:C23H14N3O5S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-nitro-2-[(Z)-[(5Z)-4-oxo-5-[(3-phenoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]iminomethyl]phenolate is a drug-like molecule.
| MolName | 4-nitro-2-[(Z)-[(5Z)-4-oxo-5-[(3-phenoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]iminomethyl]phenolate |
| MolecularFormula | C23H14N3O5S2 |
| Smiles | [O-]c(cc1)c(/C=N\N(C(/C(/S2)=C/c3cc(Oc4ccccc4)ccc3)=O)C2=S)cc1[N+]([O-])=O |
| InChI | InChI=1S/C23H15N3O5S2/c27-20-10-9-17(26(29)30)13-16(20)14-24-25-22(28)21(33-23(25)32)12-15-5-4-8-19(11-15)31-18-6-2-1-3-7-18/h1-14,27H/p-1 |
| InChIK | RQBKRRJBANJIAI-UHFFFAOYSA-M |
| TotalMolweight | 476.512 |
| Molweight | 476.512 |
| MonoisotopicMass | 476.037487 |
| CLogP | 1.6055 |
| CLogS | -7.556 |
| H Acceptors | 8 |
| TotalSurfaceArea | 348.2 |
| Relative PSA | 0.36844 |
| PolarSurfaceArea | 168.17 |
| Druglikeness | -0.27281 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.57576 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 4-nitro-2-[(Z)-[(5Z)-4-oxo-5-[(3-phenoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]iminomethyl]phenolate | 2 - 4-nitro-2-[(Z)-[(5Z)-4-oxo-5-[(3-phenoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]iminomethyl]phenolate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off