(NZ)-N-[2-(4,6-diaminopyrimidin-2-yl)sulfanylcyclooctylidene]hydroxylamine
Formula:C12H19N5OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-[2-(4,6-diaminopyrimidin-2-yl)sulfanylcyclooctylidene]hydroxylamine is a drug-like molecule.
| MolName | (NZ)-N-[2-(4,6-diaminopyrimidin-2-yl)sulfanylcyclooctylidene]hydroxylamine |
| MolecularFormula | C12H19N5OS |
| Smiles | Nc1nc(SC(CCCCCC2)/C2=N\O)nc(N)c1 |
| InChI | InChI=1S/C12H19N5OS/c13-10-7-11(14)16-12(15-10)19-9-6-4-2-1-3-5-8(9)17-18/h7,9,18H,1-6H2,(H4,13,14,15,16)/b17-8-/t9-/m0/s1 |
| InChIK | QIHPHKVBBXBIPJ-NRMZQKLJSA-N |
| TotalMolweight | 281.383 |
| Molweight | 281.383 |
| MonoisotopicMass | 281.13103 |
| CLogP | 2.8393 |
| CLogS | -4.322 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 216.19 |
| Relative PSA | 0.43749 |
| PolarSurfaceArea | 135.71 |
| Druglikeness | -3.6499 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | 1,3-diamino-aryl |
| Shape Index | 0.52632 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 9 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 2 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (NZ)-N-[2-(4,6-diaminopyrimidin-2-yl)sulfanylcyclooctylidene]hydroxylamine | 2 - (NZ)-N-[2-(4,6-diaminopyrimidin-2-yl)sulfanylcyclooctylidene]hydroxylamine
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