(E)-2,3-dibromoprop-2-en-1-amine
Formula:C3H5NBr2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2,3-dibromoprop-2-en-1-amine is a drug-like molecule.
| MolName | (E)-2,3-dibromoprop-2-en-1-amine |
| MolecularFormula | C3H5NBr2 |
| Smiles | NC/C(/Br)=C\Br |
| InChI | InChI=1S/C3H5Br2N/c4-1-3(5)2-6/h1H,2,6H2 |
| InChIK | MPVYZQSMFBPMSE-UHFFFAOYSA-N |
| TotalMolweight | 214.888 |
| Molweight | 214.888 |
| MonoisotopicMass | 212.878871 |
| CLogP | 0.7685 |
| CLogS | -2.145 |
| H Acceptors | 1 |
| H Donors | 1 |
| TotalSurfaceArea | 97.75 |
| Relative PSA | 0.15621 |
| PolarSurfaceArea | 26.02 |
| Druglikeness | -6.9638 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | 1,2-dihalo-alkene |
| Shape Index | 0.83333 |
| Fragments | 1 |
| Non HAtoms | 6 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 1 |
| Sp3Atoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (E)-2,3-dibromoprop-2-en-1-amine | 2 - (E)-2,3-dibromoprop-2-en-1-amine
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