triclosan | SBID = 2103 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 29.5 | ||
| Ertl TPSA/Å2: | 29.46 | ||
| Hydrophilicity (PubChem XLogP): | 5.0 | ||
| Hydrophilicity (Cheng XLogP3): | 4.76 | ||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 1.0 | ||
| Number of H-Bond Acceptors: | 2.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 198.5 | ||
| Sum Formula: | C12H7Cl3O2 | ||
| M / g/mol: | 289.5 | ||
| Complexity: | 252.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: drug, typical guest
- Name: triclosan
- Preferred Abbreviation: triclosan
- IUPAC Name: 5-chloro-2-(2,4-dichlorophenoxy)phenol
- CAS:
- CID: 5564
- InChiKey: XEFQLINVKFYRCS-UHFFFAOYSA-N
- InChi: InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H
- CanoSmiles: C1=CC(=C(C=C1Cl)O)OC2=C(C=C(C=C2)Cl)Cl
- IsoSmiles: C1=CC(=C(C=C1Cl)O)OC2=C(C=C(C=C2)Cl)Cl
