2-nitro-4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)iminomethyl]phenolate
Formula:C10H6N3O4S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-nitro-4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)iminomethyl]phenolate is a drug-like molecule.
| MolName | 2-nitro-4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)iminomethyl]phenolate |
| MolecularFormula | C10H6N3O4S2 |
| Smiles | [O-]c(ccc(/C=N\N(C(CS1)=O)C1=S)c1)c1[N+]([O-])=O |
| InChI | InChI=1S/C10H7N3O4S2/c14-8-2-1-6(3-7(8)13(16)17)4-11-12-9(15)5-19-10(12)18/h1-4,14H,5H2/p-1 |
| InChIK | SXMCJSLCSAKPNR-UHFFFAOYSA-M |
| TotalMolweight | 296.307 |
| Molweight | 296.307 |
| MonoisotopicMass | 295.979972 |
| CLogP | -1.9035 |
| CLogS | -3.429 |
| H Acceptors | 7 |
| TotalSurfaceArea | 207.73 |
| Relative PSA | 0.56944 |
| PolarSurfaceArea | 158.94 |
| Druglikeness | -1.3238 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.52632 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-nitro-4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)iminomethyl]phenolate | 2 - 2-nitro-4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)iminomethyl]phenolate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off