azane;2,4,6,8-tetranitronaphthalene-1,5-diol
Formula:C10H4N4O10.H3N.H3N
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
azane;2,4,6,8-tetranitronaphthalene-1,5-diol is not a drug-like molecule.
| MolName | azane;2,4,6,8-tetranitronaphthalene-1,5-diol |
| MolecularFormula | C10H4N4O10.H3N.H3N |
| Smiles | [O-][N+](c(cc(c(O)c1c([N+]([O-])=O)c2)[N+]([O-])=O)c1c(O)c2[N+]([O-])=O)=O.N.N |
| InChI | InChI=1S/C10H4N4O10.2H3N/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;2*1H3 |
| InChIK | OCNGFPWFIIGLKE-UHFFFAOYSA-N |
| TotalMolweight | 374.221 |
| Molweight | 340.16 |
| MonoisotopicMass | 339.992746 |
| CLogP | -1.5238 |
| CLogS | -4.47 |
| H Acceptors | 14 |
| H Donors | 2 |
| TotalSurfaceArea | 215.24 |
| Relative PSA | 0.68705 |
| PolarSurfaceArea | 223.74 |
| Druglikeness | -7.5665 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.41667 |
| Fragments | 3 |
| 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 |
| Symmetricatoms | 12 |
| AcidicOxygens | 4 |
| StereoCon |
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1 - azane;2,4,6,8-tetranitronaphthalene-1,5-diol | 2 - azane;2,4,6,8-tetranitronaphthalene-1,5-diol
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