Phenylcarbamic acid, 9-bromononyl ester
PubChem CID: 564772
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| Compound Synonyms | Phenylcarbamic acid, 9-bromononyl ester, 9-Bromononyl phenylcarbamate #, CBAZGOBJTMLNAC-UHFFFAOYSA-N |
|---|---|
| Topological Polar Surface Area | 38.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 243.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 9-bromononyl N-phenylcarbamate |
| Prediction Hob | 0.0 |
| Xlogp | 5.8 |
| Molecular Formula | C16H24BrNO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CBAZGOBJTMLNAC-UHFFFAOYSA-N |
| Fcsp3 | 0.5625 |
| Logs | -4.972 |
| Rotatable Bond Count | 11.0 |
| Logd | 4.175 |
| Compound Name | Phenylcarbamic acid, 9-bromononyl ester |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 341.099 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 341.099 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 342.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.137317400000001 |
| Inchi | InChI=1S/C16H24BrNO2/c17-13-9-4-2-1-3-5-10-14-20-16(19)18-15-11-7-6-8-12-15/h6-8,11-12H,1-5,9-10,13-14H2,(H,18,19) |
| Smiles | C1=CC=C(C=C1)NC(=O)OCCCCCCCCCBr |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Houttuynia Cordata (Plant) Rel Props:Source_db:cmaup_ingredients