(4aS,4bS,8aR)-4-(hydroxyamino)-8a-morpholin-4-yl-9-oxido-2,4b,5,6,7,8-hexahydro-1H-carbazol-9-ium-4a-ol
Formula:C16H25N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4aS,4bS,8aR)-4-(hydroxyamino)-8a-morpholin-4-yl-9-oxido-2,4b,5,6,7,8-hexahydro-1H-carbazol-9-ium-4a-ol is a drug-like molecule.
| MolName | (4aS,4bS,8aR)-4-(hydroxyamino)-8a-morpholin-4-yl-9-oxido-2,4b,5,6,7,8-hexahydro-1H-carbazol-9-ium-4a-ol |
| MolecularFormula | C16H25N3O4 |
| Smiles | [O-][N+]([C@]1([C@@H]2CCCC1)N1CCOCC1)=C(CCC=C1NO)[C@]12O |
| InChI | InChI=1S/C16H25N3O4/c20-16-12-4-1-2-7-15(12,18-8-10-23-11-9-18)19(22)14(16)6-3-5-13(16)17-21/h5,12,17,20-21H,1-4,6-11H2/t12-,15+,16-/m0/s1 |
| InChIK | XMQOMEQOPRLGOX-MAZHCROVSA-N |
| TotalMolweight | 323.391 |
| Molweight | 323.391 |
| MonoisotopicMass | 323.184507 |
| CLogP | -0.6285 |
| CLogS | 0.013 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 228.43 |
| Relative PSA | 0.30027 |
| PolarSurfaceArea | 93.71 |
| Druglikeness | -5.7523 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | nitrone |
| Shape Index | 0.43478 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Sp3Atoms | 19 |
| Symmetricatoms | 2 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (4aS,4bS,8aR)-4-(hydroxyamino)-8a-morpholin-4-yl-9-oxido-2,4b,5,6,7,8-hexahydro-1H-carbazol-9-ium-4a-ol | 2 - (4aS,4bS,8aR)-4-(hydroxyamino)-8a-morpholin-4-yl-9-oxido-2,4b,5,6,7,8-hexahydro-1H-carbazol-9-ium-4a-ol
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