Chemical Name - Hexamine
Mol Weight - 140.189
Smiles - C(N(C1)C2)N3CN2CN1C3
Mol Weight - 140.189
Smiles - C(N(C1)C2)N3CN2CN1C3
| Property Value | |
| Mol Name | Hexamine |
| Molweight | 140.189 |
| Monoisotopic Mass | 140.106196 |
| Clogp | 0.7196 |
| Clogs | -1.688 |
| H Acceptors | 4 |
| Total Surface Area | 96.76 |
| Relative Psa | 0.14675 |
| Polar Surface Area | 12.96 |
| Druglikeness | 1.5849 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Shape Index | 0.5 |
| Molecular Flexibility | 0.015309 |
| Molecular Complexity | 0.56687 |
| Fragments | 1 |
| Non H Atoms | 10 |
| Non Ch Atoms | 4 |
| Electronegative Atoms | 4 |
| Rings Closures | 3 |
| Small Rings | 4 |
| Sp3 Atoms | 10 |
| Symmetric Atoms | 8 |
| Basic Nitrogens | 4 |
| Smiles | C(N(C1)C2)N3CN2CN1C3 |
| InChIKey | InChI=1S/C6H12N4/c1-7-2-9-4-8(1)5-10(3-7)6-9/h1-6H2 |
| InChI | VKYKSIONXSXAKP-UHFFFAOYSA-N |
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1 - Hexamine
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