(NZ)-N-[(4Z)-8-(1H-1,2,4-triazol-5-ylsulfanyl)cyclooct-4-en-1-ylidene]hydroxylamine
Formula:C10H14N4OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-[(4Z)-8-(1H-1,2,4-triazol-5-ylsulfanyl)cyclooct-4-en-1-ylidene]hydroxylamine is a drug-like molecule.
| MolName | (NZ)-N-[(4Z)-8-(1H-1,2,4-triazol-5-ylsulfanyl)cyclooct-4-en-1-ylidene]hydroxylamine |
| MolecularFormula | C10H14N4OS |
| Smiles | O/N=C(/CC/C=C\CC1)\C1Sc1ncn[nH]1 |
| InChI | InChI=1S/C10H14N4OS/c15-14-8-5-3-1-2-4-6-9(8)16-10-11-7-12-13-10/h1-2,7,9,15H,3-6H2,(H,11,12,13)/b2-1?,14-8-/t9-/m0/s1 |
| InChIK | INHDHJBUHGRUHT-JRQKPSDVSA-N |
| TotalMolweight | 238.314 |
| Molweight | 238.314 |
| MonoisotopicMass | 238.088831 |
| CLogP | 2.572 |
| CLogS | -2.846 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 187.7 |
| Relative PSA | 0.41572 |
| PolarSurfaceArea | 99.46 |
| Druglikeness | -1.5894 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 7 |
| Aromatic Nitrogens | 3 |
| StereoCon | racemate |
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1 - (NZ)-N-[(4Z)-8-(1H-1,2,4-triazol-5-ylsulfanyl)cyclooct-4-en-1-ylidene]hydroxylamine | 2 - (NZ)-N-[(4Z)-8-(1H-1,2,4-triazol-5-ylsulfanyl)cyclooct-4-en-1-ylidene]hydroxylamine
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