n-Butyl allophanate
PubChem CID: 5315565
Connections displayed (default: 10).
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| Compound Synonyms | n-Butyl allophanate, butyl allophanate, SCHEMBL4451188, RNXRXBFLIGLDTC-UHFFFAOYSA-N |
|---|---|
| Topological Polar Surface Area | 81.4 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 147.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | butyl N-carbamoylcarbamate |
| Prediction Hob | 1.0 |
| Xlogp | 1.0 |
| Molecular Formula | C6H12N2O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | RNXRXBFLIGLDTC-UHFFFAOYSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -1.467 |
| Rotatable Bond Count | 4.0 |
| Logd | 0.704 |
| Compound Name | n-Butyl allophanate |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 160.085 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 160.085 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 160.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.5551726 |
| Inchi | InChI=1S/C6H12N2O3/c1-2-3-4-11-6(10)8-5(7)9/h2-4H2,1H3,(H3,7,8,9,10) |
| Smiles | CCCCOC(=O)NC(=O)N |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Scoparia (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Codonopsis Pilosula (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients