Oxalic acid
IUPAC name: Ethanedioic acid
CAS Number: 144-62-7
Class: Dicarboxylic acid
Mushrooms contain this compound
6 mushrooms
| MushID |
Thai name |
Common name |
Scientific name |
Family |
| 22 |
เห็ดตับเต่าขนมปังกะโหลก |
Penny bun |
Boletus edulis Bull. ex Fr. |
Boletaceae |
| 5 |
เห็ดนางรมขาว |
Oyster mushroom |
Pleurotus ostreatus (Jacq.ex.Fr) Kummer |
Pleurotaceae |
| 6 |
เห็ดนางฟ้า |
Lung Oyster |
Pleurotus sajor-caju (Fr.) Sing |
Pleurotaceae |
| 9 |
เห็ดหูหนู |
Jew's ear |
Auricularia auricular-judae (Hooker) Underw. |
Auriculariaceae |
| 25 |
เห็ดขอนขาว |
- |
Lentinus squarrosulus Mont. |
Polyporaceae |
| 36 |
เห็ดหน้าม่วง |
Charcoal burner |
Russula cyanoxantha (Schaeff.) Fr. |
Russulaceae |
2D Structure
Compound Properties
SMILES
OC(=O)C(=O)O
Physicochemical Properties
| Formula |
C2H2O4 |
| Molecular wieght(g/mol) |
90.03 |
| Num. of Heavy atoms |
6 |
| Num. of Aromatic Heavy atoms |
0 |
| Fraction Csp3 |
0.00 |
| Num. of Rotatable bonds |
1 |
| Num. of H-bond acceptors |
4 |
| Num. of H-bonds donors |
2 |
| Molar Refractivity |
15.27 |
| TPSA (square Angstrom) |
74.60 |
Lipophilicity
| iLOGP |
-0.35 |
| XLOGP3 |
-0.25 |
| WLOGP |
-0.84 |
| MLOGP |
-1.51 |
| Silicos-IT LOGP |
-0.97 |
| Consensus LOGP |
-0.79 |
Water Solubility
| ESOL |
|
| LogS |
-0.17 |
Solubility(mg/ml) |
6.02E+01 |
Solubility(mol/l) |
6.69E-01 |
Class |
Very soluble |
| Ali |
|
| LogS |
-0.86 |
Solubility(mg/ml) |
1.25E+01 |
Solubility(mol/l) |
1.39E-01 |
Class |
Very soluble |
| Silicos-IT |
|
| LogS |
1.47 |
Solubility(mg/ml) |
2.66E+03 |
Solubility(mol/l) |
2.95E+01 |
Class |
Soluble |
Pharmacokinetics
| GI absorbtion |
High |
| BBB permeant |
No |
| Pgp substrate |
No |
| CYP1A2 inhibitor |
No |
| CYP2C19 inhibitor |
No |
| CYP2C9 inhibitor |
No |
| CYP2D6 inhibitor |
No |
| CYP3A4 inhibitor |
No |
| Log Kp (skin permeation) (cm/s) |
-7.03 |
Druglikeness
| Lipinski Num. violations |
0 |
| Ghose Num. violations |
4 |
| Veber Num. violations |
0 |
| Egan Num. violations |
0 |
| Muegge Num. violations |
2 |
| Bioavailability Score |
0.56 |
Medicinal Chemistry
| PAINS Num. of alerts |
0 |
| Brenk Num. of alerts |
1 |
| Leadlikeness Num. of violations |
1 |
| Synthetic Accessibility |
1.00 |
Biological Activity
| Biological Activity |
JID |
| Antiviral |
28 |
