Calcium hydroxide, hydrate
| Common Name: |
Calcium hydroxide, hydrate |
| IUPAC Name: |
calcium;dihydroxide;hydrate |
| Molecular Formula: |
CaH4O3 |
| SMILES: |
O.[OH-].[OH-].[Ca+2] |
| Inchi: |
1S/Ca.3H2O/h;3*1H2/q+2;;;/p-2 |
| Inchi Key: |
CQVAWTWGTHPABZ-UHFFFAOYSA-L |
| Cas No: |
1332-69-0 |
| Name |
Value |
| Lipinski Violations |
|
| Ghose Violations |
|
| Veber Violations |
|
| Egan Violations |
|
| Muegge Violations |
|
| Name |
Value |
| Molecular Weight (g/mol) |
92.11 |
| Mass (g/mol) |
91.979 |
| Molar Refractivity |
6.92 |
| Net Charge |
|
| HBD |
|
| HBA |
|
| Rt Bonds |
0 |
| Rings |
|
| TPSA |
55.35 |
| Hetero Atoms |
|
| Heavy Atoms |
4 |
| Aromatic Heavy Atoms |
0 |
| Melting Point (°C) |
|
| Boiling Point (°C@760.00mm Hg) |
|
| Vapor Pressure (mmHg@25.00 °C) |
|
| Vapor Density (Air =1) |
|
| Fraction Csp3 |
|
| LogP |
|
| iLOGP |
|
| XLOGP3 |
|
| WLOGP |
|
| MLOGP |
|
| ESOL Log S |
|
| ESOL Solubility (mg/ml) |
|
| ESOL Solubility (mol/l) |
|
| ESOL Class: esol_class |
null |
| Ali Log S |
|
| Ali Solubility (mg/ml) |
|
| Ali Solubility (mol/l) |
|
| Ali Class |
null |
| Silicos-IT LogSw |
|
| Silicos-IT Solubility (mg/ml) |
|
| Silicos-IT Solubility (mol/l) |
|
| Silicos-IT Class |
null |
| Name |
Value |
| GI Absorption |
null |
| BBB Permeable |
|
| PgP Substrate |
|
| Log Kp (cm/s) |
|
| Bioavailability Score |
|
| Caco2 |
1 |
| Human Intestinal Absorption |
1 |
| Plasm Protein Binding |
0.074 |
| CYP1A2 Inhibitor |
|
| CYP2C19 Inhibitor |
|
| CYP2C9 Inhibitor |
|
| CYP2D6 inhibitor |
|
| CYP3A4 inhibitor |
|
| Ames mutagenesis |
0 |
| Acute Oral Toxicity |
-0.27 |
| Carcinogenicity (Binary) |
1 |
| 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 |
