Chemical Name - Monoallylamine
Mol Weight - 57.0956
Smiles - C=CCN
Mol Weight - 57.0956
Smiles - C=CCN
| Property Value | |
| Mol Name | Monoallylamine |
| Molweight | 57.0956 |
| Monoisotopic Mass | 57.057849 |
| Clogp | -0.0784 |
| Clogs | -0.762 |
| H Acceptors | 1 |
| H Donors | 1 |
| Total Surface Area | 60.32 |
| Relative Psa | 0.25315 |
| Polar Surface Area | 26.02 |
| Druglikeness | -4.7612 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Shape Index | 1 |
| Molecular Flexibility | 0.7773 |
| Fragments | 1 |
| Non H Atoms | 4 |
| Non Ch Atoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bonds | 1 |
| Sp3 Atoms | 2 |
| Amines | 1 |
| Alkyl Amines | 1 |
| Basic Nitrogens | 1 |
| Smiles | C=CCN |
| InChIKey | InChI=1S/C3H7N/c1-2-3-4/h2H,1,3-4H2 |
| InChI | VVJKKWFAADXIJK-UHFFFAOYSA-N |
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1 - Monoallylamine
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2 - Monoallylamine
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