| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 23rd, 2011 | 20 | No |
Popular Name: methyl 3-fluoro-4-{[(2-hydroxyphenyl)methylidene]amino}benzoate methyl 3-fluoro-4-{[(2-hydroxyph…
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CAS Number: 1296225-22-3
Methyl 3-fluoro-4-{[(2-hydroxyphenyl)methylidene]-amino}benzoate
methyl3-fluoro-4-{[(2-hydroxyphenyl)methylidene]-amino}benzoate
| 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) | 3.67 | 6.14 | -12.32 | 1 | 4 | 0 | 59 | 273.263 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.67 | 6.91 | -51.89 | 0 | 4 | -1 | 62 | 272.255 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.67 | 5.69 | -37.41 | 0 | 4 | -1 | 62 | 272.255 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.67 | 6.63 | -40.6 | 2 | 4 | 1 | 61 | 274.271 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.67 | 5.34 | -38.68 | 2 | 4 | 1 | 61 | 274.271 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 1.130000000000000e+002 - 1.150000000000000e+002 | KeyOrganics |
| melting_point | 113 - 115 | KeyOrganics |
| MP | 113-115° | Matrix Scientific |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.
