Hydroxyamine
IUPAC name: Hydroxylamine
CAS Number: 7803-49-8
Class: inorganic compound
Mushrooms contain this compound
1 mushrooms
| MushID |
Thai name |
Common name |
Scientific name |
Family |
| 2 |
ถั่งเช่าทิเบต |
caterpillar fungus |
Cordyceps sinensis (Berk.) Sacc. |
Ophiocordycipitaceae |
2D Structure
Compound Properties
SMILES
NO
Physicochemical Properties
| Formula |
H3NO |
| Molecular wieght(g/mol) |
33.03 |
| Num. of Heavy atoms |
2 |
| Num. of Aromatic Heavy atoms |
0 |
| Fraction Csp3 |
0.78 |
| Num. of Rotatable bonds |
0 |
| Num. of H-bond acceptors |
6 |
| Num. of H-bonds donors |
2 |
| Molar Refractivity |
5.55 |
| TPSA (square Angstrom) |
46.25 |
Lipophilicity
| iLOGP |
1.12 |
| XLOGP3 |
-1.92 |
| WLOGP |
-2.04 |
| MLOGP |
-0.97 |
| Silicos-IT LOGP |
-0.87 |
| Consensus LOGP |
-0.93 |
Water Solubility
| ESOL |
|
| LogS |
-1.25 |
Solubility(mg/ml) |
2.38E+01 |
Solubility(mol/l) |
5.63E-02 |
Class |
Very soluble |
| Ali |
|
| LogS |
-1.04 |
Solubility(mg/ml) |
3.84E+01 |
Solubility(mol/l) |
9.10E-02 |
Class |
Very soluble |
| Silicos-IT |
|
| LogS |
-0.19 |
Solubility(mg/ml) |
2.74E+02 |
Solubility(mol/l) |
6.49E-01 |
Class |
Soluble |
Pharmacokinetics
| GI absorbtion |
Low |
| BBB permeant |
No |
| Pgp substrate |
Yes |
| CYP1A2 inhibitor |
No |
| CYP2C19 inhibitor |
No |
| CYP2C9 inhibitor |
No |
| CYP2D6 inhibitor |
No |
| CYP3A4 inhibitor |
No |
| Log Kp (skin permeation) (cm/s) |
-10.24 |
Druglikeness
| Lipinski Num. violations |
0 |
| Ghose Num. violations |
1 |
| Veber Num. violations |
1 |
| Egan Num. violations |
1 |
| Muegge Num. violations |
1 |
| Bioavailability Score |
0.55 |
Medicinal Chemistry
| PAINS Num. of alerts |
0 |
| Brenk Num. of alerts |
0 |
| Leadlikeness Num. of violations |
1 |
| Synthetic Accessibility |
6.65 |
