(2Z)-2-(nitromethylidene)-1,3-thiazolidine
Formula:C4H6N2O2S
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-(nitromethylidene)-1,3-thiazolidine is a drug-like molecule.
| MolName | (2Z)-2-(nitromethylidene)-1,3-thiazolidine |
| MolecularFormula | C4H6N2O2S |
| Smiles | [O-][N+](/C=C1\SCCN1)=O |
| InChI | InChI=1S/C4H6N2O2S/c7-6(8)3-4-5-1-2-9-4/h3,5H,1-2H2 |
| InChIK | IDEZECZCLMOIJN-UHFFFAOYSA-N |
| TotalMolweight | 146.17 |
| Molweight | 146.17 |
| MonoisotopicMass | 146.014998 |
| CLogP | -0.7993 |
| CLogS | -1.874 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 104.85 |
| Relative PSA | 0.56624 |
| PolarSurfaceArea | 83.15 |
| Druglikeness | -4.6064 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 9 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3Atoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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