N-(4-hydroxy-3-nitrophenylethyl)acetamide
PubChem CID: 14778429
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| Compound Synonyms | N-(4-hydroxy-3-nitrophenylethyl)acetamide |
|---|---|
| Topological Polar Surface Area | 95.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 264.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N-[2-(4-hydroxy-3-nitrophenyl)ethyl]acetamide |
| Prediction Hob | 1.0 |
| Xlogp | 1.6 |
| Molecular Formula | C10H12N2O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | LBZQSQYRGCAOJM-UHFFFAOYSA-N |
| Fcsp3 | 0.3 |
| Logs | -2.312 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.051 |
| Compound Name | N-(4-hydroxy-3-nitrophenylethyl)acetamide |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 224.08 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 224.08 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 224.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.4658391999999996 |
| Inchi | InChI=1S/C10H12N2O4/c1-7(13)11-5-4-8-2-3-10(14)9(6-8)12(15)16/h2-3,6,14H,4-5H2,1H3,(H,11,13) |
| Smiles | CC(=O)NCCC1=CC(=C(C=C1)O)[N+](=O)[O-] |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Viola Philippica (Plant) Rel Props:Source_db:cmaup_ingredients