(2-methylfuran-3-yl) 1H-pyrrole-2-carboxylate
PubChem CID: 71307283
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| Topological Polar Surface Area | 55.2 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 219.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2-methylfuran-3-yl) 1H-pyrrole-2-carboxylate |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 1.9 |
| Is Pains | False |
| Molecular Formula | C10H9NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NXHJWJQRFNRDSY-UHFFFAOYSA-N |
| Fcsp3 | 0.1 |
| Rotatable Bond Count | 3.0 |
| Compound Name | (2-methylfuran-3-yl) 1H-pyrrole-2-carboxylate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 191.058 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 191.058 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 191.18 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.5655246285714286 |
| Inchi | InChI=1S/C10H9NO3/c1-7-9(4-6-13-7)14-10(12)8-3-2-5-11-8/h2-6,11H,1H3 |
| Smiles | CC1=C(C=CO1)OC(=O)C2=CC=CN2 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pseudostellaria Heterophylla (Plant) Rel Props:Source_db:cmaup_ingredients