Mol Weight - 102.2
Smiles - CC(C)[NH2+]C(C)C.c1nnn[nH]1
| Property Name | Property Value |
| Mol Name | Di-Isopropyl Ammonium Tetrazole |
| Molweight | 102.2 |
| Monoisotopic Mass | 102.128274 |
| Clogp | -0.0956 |
| Clogs | -1.525 |
| H Acceptors | 1 |
| H Donors | 1 |
| Total Surface Area | 95.28 |
| Relative Psa | 0.081234 |
| Polar Surface Area | 16.61 |
| Druglikeness | -2.6557 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.71429 |
| Molecular Flexibility | 0.50478 |
| Molecular Complexity | 0.3662 |
| Fragments | 2 |
| Non H Atoms | 7 |
| Non Ch Atoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bonds | 2 |
| Sp3 Atoms | 7 |
| Symmetric Atoms | 4 |
| Amines | 1 |
| Alkyl Amines | 1 |
| Basic Nitrogens | 1 |
| Smiles | CC(C)[NH2+]C(C)C.c1nnn[nH]1 |
| InChIKey | InChI=1S/C6H15N.CH2N4/c1-5(2)7-6(3)4;1-2-4-5-3-1/h5-7H,1-4H3;1H,(H,2,3,4,5)/p+1 |
| InChI | CIXHNHBHWVDBGQ-UHFFFAOYSA-O |
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1 — Di-Isopropyl Ammonium Tetrazole | 2 — Di-Isopropyl Ammonium Tetrazole