potassium;5-hydroxy-2,4,6,8-tetranitronaphthalen-1-olate
Formula:K.C10H3N4O10
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
potassium;5-hydroxy-2,4,6,8-tetranitronaphthalen-1-olate is not a drug-like molecule.
| MolName | potassium;5-hydroxy-2,4,6,8-tetranitronaphthalen-1-olate |
| MolecularFormula | K.C10H3N4O10 |
| Smiles | [O-]c(c([N+]([O-])=O)c1)c(c([N+]([O-])=O)cc([N+]([O-])=O)c2O)c2c1[N+]([O-])=O.[K+] |
| InChI | InChI=1S/C10H4N4O10.K/c15-9-5(13(21)22)1-3(11(17)18)7-8(9)4(12(19)20)2-6(10(7)16)14(23)24;/h1-2,15-16H;/q;+1/p-1 |
| InChIK | VDLXBFMNYGZYDO-UHFFFAOYSA-M |
| TotalMolweight | 378.25 |
| Molweight | 339.152 |
| MonoisotopicMass | 338.984921 |
| CLogP | -3.1018 |
| CLogS | -4.47 |
| H Acceptors | 14 |
| H Donors | 1 |
| TotalSurfaceArea | 216.42 |
| Relative PSA | 0.68875 |
| PolarSurfaceArea | 226.57 |
| Druglikeness | -7.4186 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.41667 |
| Fragments | 2 |
| Non HAtoms | 24 |
| NonCHAtoms | 14 |
| Electronegative Atoms | 14 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 6 |
| AcidicOxygens | 4 |
| StereoCon |
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1 - potassium;5-hydroxy-2,4,6,8-tetranitronaphthalen-1-olate | 2 - potassium;5-hydroxy-2,4,6,8-tetranitronaphthalen-1-olate
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