(NZ)-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclododecylidene]hydroxylamine
Formula:C14H24N4OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclododecylidene]hydroxylamine is a drug-like molecule.
| MolName | (NZ)-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclododecylidene]hydroxylamine |
| MolecularFormula | C14H24N4OS |
| Smiles | O/N=C(/CCCCCCCCCC1)\C1Sc1ncn[nH]1 |
| InChI | InChI=1S/C14H24N4OS/c19-18-12-9-7-5-3-1-2-4-6-8-10-13(12)20-14-15-11-16-17-14/h11,13,19H,1-10H2,(H,15,16,17)/b18-12-/t13-/m0/s1 |
| InChIK | KYUUYLWVRAINRL-CYUIRQCWSA-N |
| TotalMolweight | 296.438 |
| Molweight | 296.438 |
| MonoisotopicMass | 296.167081 |
| CLogP | 4.6418 |
| CLogS | -4.154 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 243.76 |
| Relative PSA | 0.32011 |
| PolarSurfaceArea | 99.46 |
| Druglikeness | -1.6655 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 13 |
| Aromatic Nitrogens | 3 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (NZ)-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclododecylidene]hydroxylamine | 2 - (NZ)-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclododecylidene]hydroxylamine
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