n-decanoic acid
IUPAC name: Decanoic acid
CAS Number: 334-48-5
Class: Organic acid
Mushrooms contain this compound
5 mushrooms
| MushID |
Thai name |
Common name |
Scientific name |
Family |
| 2 |
ถั่งเช่าทิเบต |
caterpillar fungus |
Cordyceps sinensis (Berk.) Sacc. |
Ophiocordycipitaceae |
| 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 |
2D Structure
Compound Properties
SMILES
CCCCCCCCCC(=O)O
Physicochemical Properties
| Formula |
C10H20O2 |
| Molecular wieght(g/mol) |
172.26 |
| Num. of Heavy atoms |
12 |
| Num. of Aromatic Heavy atoms |
0 |
| Fraction Csp3 |
0.90 |
| Num. of Rotatable bonds |
8 |
| Num. of H-bond acceptors |
2 |
| Num. of H-bonds donors |
1 |
| Molar Refractivity |
51.96 |
| TPSA (square Angstrom) |
37.30 |
Lipophilicity
| iLOGP |
2.50 |
| XLOGP3 |
4.09 |
| WLOGP |
3.21 |
| MLOGP |
2.58 |
| Silicos-IT LOGP |
2.63 |
| Consensus LOGP |
3.00 |
Water Solubility
| ESOL |
|
| LogS |
-2.96 |
Solubility(mg/ml) |
1.90E-01 |
Solubility(mol/l) |
1.10E-03 |
Class |
Soluble |
| Ali |
|
| LogS |
-4.58 |
Solubility(mg/ml) |
4.54E-03 |
Solubility(mol/l) |
2.64E-05 |
Class |
Moderately soluble |
| Silicos-IT |
|
| LogS |
-2.87 |
Solubility(mg/ml) |
2.30E-01 |
Solubility(mol/l) |
1.34E-03 |
Class |
Soluble |
Pharmacokinetics
| GI absorbtion |
High |
| BBB permeant |
Yes |
| Pgp substrate |
No |
| CYP1A2 inhibitor |
No |
| CYP2C19 inhibitor |
No |
| CYP2C9 inhibitor |
No |
| CYP2D6 inhibitor |
No |
| CYP3A4 inhibitor |
No |
| Log Kp (skin permeation) (cm/s) |
-4.45 |
Druglikeness
| Lipinski Num. violations |
0 |
| Ghose Num. violations |
0 |
| Veber Num. violations |
0 |
| Egan Num. violations |
0 |
| Muegge Num. violations |
1 |
| Bioavailability Score |
0.56 |
Medicinal Chemistry
| PAINS Num. of alerts |
0 |
| Brenk Num. of alerts |
0 |
| Leadlikeness Num. of violations |
3 |
| Synthetic Accessibility |
1.67 |
