Chemical Name - Diphosphoric Acid
Mol Weight - 177.973
Smiles - OP(O)(OP(O)(O)=O)=O
Mol Weight - 177.973
Smiles - OP(O)(OP(O)(O)=O)=O
| Property Value | |
| Mol Name | Diphosphoric Acid |
| Molweight | 177.973 |
| Monoisotopic Mass | 177.943229 |
| Clogp | -7.497 |
| Clogs | 3.034 |
| H Acceptors | 7 |
| H Donors | 4 |
| Total Surface Area | 96.44 |
| Relative Psa | 1 |
| Polar Surface Area | 143.91 |
| Druglikeness | -15.717 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.55556 |
| Molecular Flexibility | 0.8346 |
| Molecular Complexity | 0.54931 |
| Fragments | 1 |
| Non H Atoms | 9 |
| Non Ch Atoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bonds | 2 |
| Sp3 Atoms | 7 |
| Symmetric Atoms | 5 |
| Acidic Oxygens | 4 |
| Smiles | OP(O)(OP(O)(O)=O)=O |
| InChIKey | InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6) |
| InChI | XPPKVPWEQAFLFU-UHFFFAOYSA-N |
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1 - Diphosphoric Acid
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