| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2005 | 23 | Yes |
Popular Name: Lecanoric acid Lecanoric acid
Find On: PubMed — Wikipedia — Google
CAS Number: 480-56-8
2,4-Dihydroxy-6-methylbenzoic acid 4-carboxy-3-hydroxy-5-methylphenyl ester; Lecanoric acid
480-56-8; C02868; Lecanoric acid; Orsellinate depside
CHEBI:7792; CHEBI:25725; CHEBI:14701
| 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) | 3.15 | 2.21 | -57.67 | 3 | 7 | -1 | 127 | 317.273 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.15 | 3 | -106.24 | 2 | 7 | -2 | 130 | 316.265 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0414730A1; EP0414730B1; US3973038; US4024253; US4091097; US5428163; US5773592 | IBM Patent Data |
