| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2008 | 20 | Yes |
Popular Name: (2-chlorophenyl)(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanamine (2-chlorophenyl)(3,4-dihydro-2H-…
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CAS Number: 1021079-84-4
| 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) | 3.31 | 6.49 | -57.85 | 3 | 3 | 1 | 46 | 290.77 | 2 | ↓ |
| Mid Mid (pH 6-8) | 3.31 | 6.27 | -7.38 | 2 | 3 | 0 | 44 | 289.762 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
No pre-computed analogs available. Try a structural similarity search.