| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2008 | 21 | Yes |
Popular Name: MFCD10687489 MFCD10687489
Find On: PubMed — Wikipedia — Google
CAS Number: 1040684-13-6
benzenemethanamine, 2-chloro-N-[2-(2,4-dichlorophenoxy)propyl]-
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 5.46 | 10.07 | -42.6 | 2 | 2 | 1 | 26 | 345.677 | 6 | ↓ |
| Mid Mid (pH 6-8) | 5.46 | 8.58 | -6.84 | 1 | 2 | 0 | 21 | 344.669 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
