(4-Phenylmethoxyphenyl)methyl imidazole-1-carboxylate
PubChem CID: 3549392
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 53.4 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 363.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (4-phenylmethoxyphenyl)methyl imidazole-1-carboxylate |
| Prediction Hob | 1.0 |
| Xlogp | 3.3 |
| Molecular Formula | C18H16N2O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ITSBGWYKZOHJDB-UHFFFAOYSA-N |
| Fcsp3 | 0.1111111111111111 |
| Logs | -3.462 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.673 |
| Compound Name | (4-Phenylmethoxyphenyl)methyl imidazole-1-carboxylate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 308.116 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 308.116 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 308.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.89044592173913 |
| Inchi | InChI=1S/C18H16N2O3/c21-18(20-11-10-19-14-20)23-13-16-6-8-17(9-7-16)22-12-15-4-2-1-3-5-15/h1-11,14H,12-13H2 |
| Smiles | C1=CC=C(C=C1)COC2=CC=C(C=C2)COC(=O)N3C=CN=C3 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Diospyros Kaki (Plant) Rel Props:Source_db:cmaup_ingredients