4-Iodo-N-methylphenylalanine
PubChem CID: 17933024
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| Compound Synonyms | 4-Iodo-N-methylphenylalanine, SCHEMBL1325154, DTXSID10591636, AKOS015964313 |
|---|---|
| Topological Polar Surface Area | 49.3 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 191.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-(4-iodophenyl)-2-(methylamino)propanoic acid |
| Prediction Hob | 1.0 |
| Xlogp | -0.9 |
| Molecular Formula | C10H12INO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CAHSXUAIDOEVFH-UHFFFAOYSA-N |
| Fcsp3 | 0.3 |
| Logs | -2.756 |
| Rotatable Bond Count | 4.0 |
| Logd | 1.26 |
| Compound Name | 4-Iodo-N-methylphenylalanine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 304.991 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 304.991 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 305.11 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.230455857142857 |
| Inchi | InChI=1S/C10H12INO2/c1-12-9(10(13)14)6-7-2-4-8(11)5-3-7/h2-5,9,12H,6H2,1H3,(H,13,14) |
| Smiles | CNC(CC1=CC=C(C=C1)I)C(=O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Chaenomeles Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients