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| Ligand Name: (1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATE |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB1234 |
PubChem:
46937149
|
Synonym(s):
- db08419
- q27097626
- (1s)-1-(phenoxymethyl)propyl (r)-methylphosphonochloridoate
- (rp,sp)-o-(2s)-(1-phenoxybut-2-yl)-methylphosphonic acid chloride
show 3 synonym(s)
|
| DrugBank: DB08419 |
ChEMBL: CHEMBL1235391 |
| Canonical SMILES: O=[P@](Cl)(C)O[C@@H](CC)COc1ccccc1 |
| Standard InChI: InChI=1S/C11H16ClO3P/c1-3-10(15-16(2,12)13)9-14-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3/t10-,16+/m0/s1 |
| Molecular Formula: C11H16ClO3P |
Mol. Weight: 262.05255 |
logP: 3.9223 |
| HBD: 0 | HBA: 3 |
| #Rotatable Bonds: 6 | TPSA: 35.53 |