N-[5-[(E)-3-aminoprop-1-enyl]-1H-imidazol-2-yl]-4,5-dibromo-1H-pyrrole-2-carboxamide
PubChem CID: 23425087
Connections displayed (default: 10).
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| Topological Polar Surface Area | 99.6 |
|---|---|
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 354.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N-[5-[(E)-3-aminoprop-1-enyl]-1H-imidazol-2-yl]-4,5-dibromo-1H-pyrrole-2-carboxamide |
| Prediction Hob | 1.0 |
| Xlogp | 1.6 |
| Molecular Formula | C11H11Br2N5O |
| Prediction Swissadme | 0.0 |
| Inchi Key | JFUKCDVDKWZMFY-OWOJBTEDSA-N |
| Fcsp3 | 0.0909090909090909 |
| Logs | -3.349 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.938 |
| Compound Name | N-[5-[(E)-3-aminoprop-1-enyl]-1H-imidazol-2-yl]-4,5-dibromo-1H-pyrrole-2-carboxamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 388.931 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 386.933 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 389.05 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.3195898842105263 |
| Inchi | InChI=1S/C11H11Br2N5O/c12-7-4-8(17-9(7)13)10(19)18-11-15-5-6(16-11)2-1-3-14/h1-2,4-5,17H,3,14H2,(H2,15,16,18,19)/b2-1+ |
| Smiles | C1=C(NC(=C1Br)Br)C(=O)NC2=NC=C(N2)/C=C/CN |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Vestita (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Cestrum Nocturnum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Monochaetum Vulcanicum (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Rhododendron Ovatum (Plant) Rel Props:Source_db:cmaup_ingredients