Potassium dihydrogen phosphate
| Common Name: |
Potassium dihydrogen phosphate |
| IUPAC Name: |
potassium;dihydrogen phosphate |
| Molecular Formula: |
KH2PO4 |
| SMILES: |
OP(=O)(O)[O-].[K+] |
| Inchi: |
1S/K.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+1;/p-1 |
| Inchi Key: |
GNSKLFRGEWLPPA-UHFFFAOYSA-M |
| Cas No: |
7778-77-0 |
| Name |
Value |
| Lipinski Violations |
0 |
| Ghose Violations |
4 |
| Veber Violations |
0 |
| Egan Violations |
0 |
| Muegge Violations |
2 |
| Name |
Value |
| Molecular Weight (g/mol) |
82.03 |
| Mass (g/mol) |
135.933 |
| Molar Refractivity |
11.56 |
| Net Charge |
|
| HBD |
|
| HBA |
2 |
| Rt Bonds |
0 |
| Rings |
|
| TPSA |
40.13 |
| Hetero Atoms |
|
| Heavy Atoms |
5 |
| Aromatic Heavy Atoms |
0 |
| Melting Point (°C) |
253 |
| Boiling Point (°C@760.00mm Hg) |
|
| Vapor Pressure (mmHg@25.00 °C) |
|
| Vapor Density (Air =1) |
|
| Fraction Csp3 |
0.50 |
| LogP |
|
| iLOGP |
-5.74 |
| XLOGP3 |
-0.21 |
| WLOGP |
-1.24 |
| MLOGP |
-0.49 |
| ESOL Log S |
-0.22 |
| ESOL Solubility (mg/ml) |
49.9 |
| ESOL Solubility (mol/l) |
0.608 |
| ESOL Class: esol_class |
Very soluble |
| Ali Log S |
-0.18 |
| Ali Solubility (mg/ml) |
54.7 |
| Ali Solubility (mol/l) |
0.67 |
| Ali Class |
Very soluble |
| Silicos-IT LogSw |
0.53 |
| Silicos-IT Solubility (mg/ml) |
281 |
| Silicos-IT Solubility (mol/l) |
3.42 |
| Silicos-IT Class |
Soluble |
| Name |
Value |
| GI Absorption |
Low |
| BBB Permeable |
0 |
| PgP Substrate |
1 |
| Log Kp (cm/s) |
-6.95 |
| Bioavailability Score |
0.55 |
| Caco2 |
0 |
| Human Intestinal Absorption |
1 |
| Plasm Protein Binding |
0.988 |
| CYP1A2 Inhibitor |
0 |
| CYP2C19 Inhibitor |
0 |
| CYP2C9 Inhibitor |
0 |
| CYP2D6 inhibitor |
0 |
| CYP3A4 inhibitor |
0 |
| Ames mutagenesis |
0 |
| Acute Oral Toxicity |
2.877 |
| Carcinogenicity (Binary) |
0 |
| Carcinogenicity (Trinary) |
Non-required |
| Eye Irritation |
1 |
| 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 |
