Fenchlorazole-ethyl
PubChem CID: 3033865
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| Compound Synonyms | Fenchlorazol-ethyl, Fenchlorazole-ethyl, 103112-35-2, Fenchlorazole-Et, Fenchlorazole-ethyl [ISO], Fenchlorazole ethyl, HOE 070542, ethyl 1-(2,4-dichlorophenyl)-5-(trichloromethyl)-1,2,4-triazole-3-carboxylate, DTXSID6041268, Ethyl 1-(2,4-dichlorophenyl)-5-(trichloromethyl)-1H-1,2,4-triazole-3-carboxylate, 1H-1,2,4-Triazole-3-carboxylic acid, 1-(2,4-dichlorophenyl)-5-(trichloromethyl)-, ethyl ester, 4R856T003A, DTXCID4021268, CHEBI:81992, HOE-070542, UNII-4R856T003A, SCHEMBL125425, CHEMBL2229892, GMBRUAIJEFRHFQ-UHFFFAOYSA-N, Tox21_300653, Fenchlorazol-ethyl, analytical standard, NCGC00248129-01, NCGC00254561-01, DB-040416, CAS-103112-35-2, NS00008308, C18831, Fenchlorazol-ethyl, PESTANAL(R), analytical standard, Q27155674 |
|---|---|
| Topological Polar Surface Area | 57.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 409.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P46225, P10275, Q16236, Q03181, P04792, P19838, P05412 |
| Iupac Name | ethyl 1-(2,4-dichlorophenyl)-5-(trichloromethyl)-1,2,4-triazole-3-carboxylate |
| Prediction Hob | 1.0 |
| Xlogp | 5.1 |
| Molecular Formula | C12H8Cl5N3O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GMBRUAIJEFRHFQ-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -5.436 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.136 |
| Compound Name | Fenchlorazole-ethyl |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 402.903 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 400.906 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 403.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.613476000000001 |
| Inchi | InChI=1S/C12H8Cl5N3O2/c1-2-22-10(21)9-18-11(12(15,16)17)20(19-9)8-4-3-6(13)5-7(8)14/h3-5H,2H2,1H3 |
| Smiles | CCOC(=O)C1=NN(C(=N1)C(Cl)(Cl)Cl)C2=C(C=C(C=C2)Cl)Cl |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Dahurica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Cynomorium Songaricum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Isodon Henryi (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Prunus Mume (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Pyrus Communis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Sagittaria Sagittifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Strychnos Ignatii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all