N-(2,5-Dichlorophenyl)cyclohexanecarboxamide
PubChem CID: 557839
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| Compound Synonyms | N-(2,5-Dichlorophenyl)cyclohexanecarboxamide, LUSAITGAKOXXRD-UHFFFAOYSA-N, STK044336, AKOS000612099, N-(2,5-Dichlorophenyl)cyclohexanecarboxamide #, Cyclohexanecarboxamide, N-(2,5-dichlorophenyl)- |
|---|---|
| Topological Polar Surface Area | 29.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 266.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N-(2,5-dichlorophenyl)cyclohexanecarboxamide |
| Prediction Hob | 1.0 |
| Xlogp | 4.7 |
| Molecular Formula | C13H15Cl2NO |
| Prediction Swissadme | 1.0 |
| Inchi Key | LUSAITGAKOXXRD-UHFFFAOYSA-N |
| Fcsp3 | 0.4615384615384615 |
| Logs | -5.986 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.948 |
| Compound Name | N-(2,5-Dichlorophenyl)cyclohexanecarboxamide |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 271.053 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 271.053 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 272.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.781461470588235 |
| Inchi | InChI=1S/C13H15Cl2NO/c14-10-6-7-11(15)12(8-10)16-13(17)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,16,17) |
| Smiles | C1CCC(CC1)C(=O)NC2=C(C=CC(=C2)Cl)Cl |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Schisandra Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients