Isonaamine A
PubChem CID: 11087724
Connections displayed (default: 10).
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| Compound Synonyms | ISONAAMINE A, 4-((2-amino-1-((4-hydroxyphenyl)methyl)imidazol-4-yl)methyl)phenol, 4-[[2-amino-1-[(4-hydroxyphenyl)methyl]imidazol-4-yl]methyl]phenol, SCHEMBL902175, 110189-02-1 |
|---|---|
| Topological Polar Surface Area | 84.3 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 339.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-[[2-amino-1-[(4-hydroxyphenyl)methyl]imidazol-4-yl]methyl]phenol |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Molecular Formula | C17H17N3O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RMJPULKXRISLLW-UHFFFAOYSA-N |
| Fcsp3 | 0.1176470588235294 |
| Logs | -2.561 |
| Rotatable Bond Count | 4.0 |
| Logd | 1.596 |
| Compound Name | Isonaamine A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 295.132 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 295.132 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 295.34 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.278438581818181 |
| Inchi | InChI=1S/C17H17N3O2/c18-17-19-14(9-12-1-5-15(21)6-2-12)11-20(17)10-13-3-7-16(22)8-4-13/h1-8,11,21-22H,9-10H2,(H2,18,19) |
| Smiles | C1=CC(=CC=C1CC2=CN(C(=N2)N)CC3=CC=C(C=C3)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Princeps (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Lupinus Albus (Plant) Rel Props:Source_db:cmaup_ingredients