naphthalene-1,5-disulfonate
Formula:C10H6O6S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
naphthalene-1,5-disulfonate is a drug-like molecule.
| MolName | naphthalene-1,5-disulfonate |
| MolecularFormula | C10H6O6S2 |
| Smiles | [O-]S(c1c(cccc2S([O-])(=O)=O)c2ccc1)(=O)=O |
| InChI | InChI=1S/C10H8O6S2/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16/h1-6H,(H,11,12,13)(H,14,15,16)/p-2 |
| InChIK | XTEGVFVZDVNBPF-UHFFFAOYSA-L |
| TotalMolweight | 286.284 |
| Molweight | 286.284 |
| MonoisotopicMass | 285.96058 |
| CLogP | -4.0998 |
| CLogS | -0.434 |
| H Acceptors | 6 |
| TotalSurfaceArea | 180.08 |
| Relative PSA | 0.47601 |
| PolarSurfaceArea | 131.16 |
| Druglikeness | -13.004 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44444 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 4 |
| Symmetricatoms | 10 |
| AcidicOxygens | 2 |
| StereoCon |
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