L-Ornithine hydrochloride
| Common Name: |
L-Ornithine hydrochloride |
| IUPAC Name: |
(2S)-2,5-diaminopentanoic acid;hydrochloride |
| Molecular Formula: |
C5H13ClN2O2 |
| SMILES: |
C(CC(C(=O)O)N)CN.Cl |
| Inchi: |
1S/C5H12N2O2.ClH/c6-3-1-2-4(7)5(8)9;/h4H,1-3,6-7H2,(H,8,9);1H/t4-;/m0./s1 |
| Inchi Key: |
GGTYBZJRPHEQDG-WCCKRBBISA-N |
| Cas No: |
3184-13-2 |
| Name |
Value |
| Lipinski Violations |
0 |
| Ghose Violations |
0 |
| Veber Violations |
0 |
| Egan Violations |
0 |
| Muegge Violations |
2 |
| Name |
Value |
| Molecular Weight (g/mol) |
168.62 |
| Mass (g/mol) |
168.067 |
| Molar Refractivity |
40.30 |
| Net Charge |
1 |
| HBD |
3 |
| HBA |
4 |
| Rt Bonds |
4 |
| Rings |
|
| TPSA |
89.34 |
| Hetero Atoms |
4 |
| Heavy Atoms |
10 |
| Aromatic Heavy Atoms |
0 |
| Melting Point (°C) |
230.00 to 232.00 |
| Boiling Point (°C@760.00mm Hg) |
308.00 to 309.00 |
| Vapor Pressure (mmHg@25.00 °C) |
0.00015 |
| Vapor Density (Air =1) |
|
| Fraction Csp3 |
0.80 |
| LogP |
-0.863 |
| iLOGP |
0.00 |
| XLOGP3 |
-3.61 |
| WLOGP |
-0.06 |
| MLOGP |
-2.67 |
| ESOL Log S |
1.65 |
| ESOL Solubility (mg/ml) |
7580 |
| ESOL Solubility (mol/l) |
45 |
| ESOL Class: esol_class |
Highly soluble |
| Ali Log S |
2.32 |
| Ali Solubility (mg/ml) |
35100 |
| Ali Solubility (mol/l) |
208 |
| Ali Class |
Highly soluble |
| Silicos-IT LogSw |
0.24 |
| Silicos-IT Solubility (mg/ml) |
290 |
| Silicos-IT Solubility (mol/l) |
1.72 |
| Silicos-IT Class |
Soluble |
| Name |
Value |
| GI Absorption |
High |
| BBB Permeable |
0 |
| PgP Substrate |
0 |
| Log Kp (cm/s) |
-9.89 |
| Bioavailability Score |
0.55 |
| Caco2 |
0 |
| Human Intestinal Absorption |
0 |
| Plasm Protein Binding |
0.351 |
| CYP1A2 Inhibitor |
0 |
| CYP2C19 Inhibitor |
0 |
| CYP2C9 Inhibitor |
0 |
| CYP2D6 inhibitor |
0 |
| CYP3A4 inhibitor |
0 |
| Ames mutagenesis |
0 |
| Acute Oral Toxicity |
2.384 |
| Carcinogenicity (Binary) |
0 |
| Carcinogenicity (Trinary) |
Non-required |
| Eye Irritation |
0 |
| Hepatotoxicity |
0 |
| Androgen Receptor Binding |
0 |
| Aromatase Binding |
0 |
| Estrogen Receptor Binding |
0 |
| Glucocorticoid Receptor Binding |
0 |
| Thyroid Receptor Binding |
0 |
| BRCP inhibitor |
0 |
| BSEP inhibitor |
0 |
| OATP1B1 inhibitor |
1 |
| OATP1B3 inhibitor |
1 |
| OATP2B1 inhibitor |
0 |
| OCT1 inhibitor |
0 |
| OCT2 inhibitor |
0 |
