2,3-Dichloro-4-(2-nitro-3-chlorophenyl)pyrrole
PubChem CID: 367486
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| Compound Synonyms | NSC637279, 2,3-Dichloro-4-(2-nitro-3-chlorophenyl)pyrrole, 21390-86-3, DTXSID10327215, NSC-637279, 2,3-dichloro-4-(2-nitro-3-chlorophenyl)-pyrrole, 2,3-dichloro-4-(3-chloro-2-nitro-phenyl)-1H-pyrrole, 2,3-Dichloro-4-(3-chloro-2-(hydroxy(oxido)amino)phenyl)-1H-pyrrole |
|---|---|
| Topological Polar Surface Area | 61.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 300.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,3-dichloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole |
| Prediction Hob | 1.0 |
| Xlogp | 4.4 |
| Molecular Formula | C10H5Cl3N2O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CZHPYSUGJMFCTC-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -5.36 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.867 |
| Compound Name | 2,3-Dichloro-4-(2-nitro-3-chlorophenyl)pyrrole |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 289.942 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 289.942 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 291.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.753653729411765 |
| Inchi | InChI=1S/C10H5Cl3N2O2/c11-7-3-1-2-5(9(7)15(16)17)6-4-14-10(13)8(6)12/h1-4,14H |
| Smiles | C1=CC(=C(C(=C1)Cl)[N+](=O)[O-])C2=CNC(=C2Cl)Cl |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aglaia Tomentosa (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Backhousia Citriodora (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Capraria Biflora (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Centipeda Minima (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Mentha Timija (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Senecio Macrocephalus (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Upuna Borneensis (Plant) Rel Props:Source_db:cmaup_ingredients