(NE)-N-(thian-3-ylidene)hydroxylamine
Formula:C5H9NOS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NE)-N-(thian-3-ylidene)hydroxylamine is a drug-like molecule.
| MolName | (NE)-N-(thian-3-ylidene)hydroxylamine |
| MolecularFormula | C5H9NOS |
| Smiles | O/N=C1/CSCCC1 |
| InChI | InChI=1S/C5H9NOS/c7-6-5-2-1-3-8-4-5/h7H,1-4H2 |
| InChIK | DOXKWMJZWDDLLX-UHFFFAOYSA-N |
| TotalMolweight | 131.198 |
| Molweight | 131.198 |
| MonoisotopicMass | 131.040484 |
| CLogP | 1.2079 |
| CLogS | -1.974 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 101.85 |
| Relative PSA | 0.41335 |
| PolarSurfaceArea | 57.89 |
| Druglikeness | -1.7235 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 8 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3Atoms | 6 |
| StereoCon |
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