| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2008 | 21 | Yes |
Popular Name: N-(2-Chlorobenzyl)-2-(2-methylphenoxy)-1-butanamine N-(2-Chlorobenzyl)-2-(2-methylph…
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CAS Number: 1040684-48-7
benzenemethanamine, 2-chloro-N-[2-(2-methylphenoxy)butyl]-
| 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) | 5.07 | 10.26 | -38.72 | 2 | 2 | 1 | 26 | 304.841 | 7 | ↓ |
| Hi High (pH 8-9.5) | 5.07 | 8.81 | -3.99 | 1 | 2 | 0 | 21 | 303.833 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.