Chemical Name - Histamine Dihydrochloride
Mol Weight - 111.147
Smiles - NCCc1c[nH]cn1.Cl.Cl
Mol Weight - 111.147
Smiles - NCCc1c[nH]cn1.Cl.Cl
| Property Value | |
| Mol Name | Histamine Dihydrochloride |
| Molweight | 111.147 |
| Monoisotopic Mass | 111.079647 |
| Clogp | -0.6912 |
| Clogs | -0.527 |
| H Acceptors | 3 |
| H Donors | 2 |
| Total Surface Area | 97.63 |
| Relative Psa | 0.41207 |
| Polar Surface Area | 54.7 |
| Druglikeness | 1.114 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Shape Index | 0.75 |
| Molecular Flexibility | 0.53833 |
| Molecular Complexity | 0.65976 |
| Fragments | 3 |
| Non H Atoms | 8 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bonds | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3 Atoms | 3 |
| Amines | 1 |
| Alkyl Amines | 1 |
| Aromatic Nitrogens | 2 |
| Basic Nitrogens | 2 |
| Smiles | NCCc1c[nH]cn1.Cl.Cl |
| InChIKey | InChI=1S/C5H9N3.2ClH/c6-2-1-5-3-7-4-8-5;;/h3-4H,1-2,6H2,(H,7,8);2*1H |
| InChI | PPZMYIBUHIPZOS-UHFFFAOYSA-N |
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1 - Histamine Dihydrochloride
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1 - Histamine Dihydrochloride
2 - Histamine Dihydrochloride
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