Hippuric acid-15N
PubChem CID: 10702514
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| Compound Synonyms | Hippuric acid-15N, 93627-88-4, 2-(benzoyl(15N)amino)acetic acid, HY-W016562S3, CS-0376687 |
|---|---|
| Topological Polar Surface Area | 66.4 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 1.0 |
| Molecular Complexity | 197.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(benzoyl(15N)amino)acetic acid |
| Prediction Hob | 1.0 |
| Xlogp | 0.3 |
| Molecular Formula | C9H9NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QIAFMBKCNZACKA-DETAZLGJSA-N |
| Fcsp3 | 0.1111111111111111 |
| Logs | -1.245 |
| Rotatable Bond Count | 3.0 |
| Logd | -0.141 |
| Compound Name | Hippuric acid-15N |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 180.055 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 180.055 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 180.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.9321807367184616 |
| Inchi | InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)/i10+1 |
| Smiles | C1=CC=C(C=C1)C(=O)[15NH]CC(=O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Crinum Amabile (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Crinum Latifolium (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Lycoris Radiata (Plant) Rel Props:Source_db:cmaup_ingredients