4-chloro-2-nitro-6-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)iminomethyl]phenolate
Formula:C10H5N3O4ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-chloro-2-nitro-6-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)iminomethyl]phenolate is a drug-like molecule.
| MolName | 4-chloro-2-nitro-6-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)iminomethyl]phenolate |
| MolecularFormula | C10H5N3O4ClS2 |
| Smiles | [O-]c(c(/C=N\N(C(CS1)=O)C1=S)cc(Cl)c1)c1[N+]([O-])=O |
| InChI | InChI=1S/C10H6ClN3O4S2/c11-6-1-5(9(16)7(2-6)14(17)18)3-12-13-8(15)4-20-10(13)19/h1-3,16H,4H2/p-1 |
| InChIK | VUMVSRRUZURHIM-UHFFFAOYSA-M |
| TotalMolweight | 330.752 |
| Molweight | 330.752 |
| MonoisotopicMass | 329.940999 |
| CLogP | -1.2975 |
| CLogS | -4.165 |
| H Acceptors | 7 |
| TotalSurfaceArea | 223.15 |
| Relative PSA | 0.53009 |
| PolarSurfaceArea | 158.94 |
| Druglikeness | -1.2714 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-chloro-2-nitro-6-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)iminomethyl]phenolate | 2 - 4-chloro-2-nitro-6-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)iminomethyl]phenolate
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