Hydralazine hydrochloride
| Common Name: |
Hydralazine hydrochloride |
| IUPAC Name: |
phthalazin-1-ylhydrazine;hydrochloride |
| Molecular Formula: |
C8H8N4 |
| SMILES: |
C1=CC=C2C(=C1)C=NN=C2NN.Cl |
| Inchi: |
1S/C8H8N4.ClH/c9-11-8-7-4-2-1-3-6(7)5-10-12-8;/h1-5H,9H2,(H,11,12);1H |
| Inchi Key: |
ZUXNZUWOTSUBMN-UHFFFAOYSA-N |
| Cas No: |
304-20-1 |
| Name |
Value |
| Lipinski Violations |
0 |
| Ghose Violations |
0 |
| Veber Violations |
0 |
| Egan Violations |
0 |
| Muegge Violations |
1 |
| Name |
Value |
| Molecular Weight (g/mol) |
196.64 |
| Mass (g/mol) |
196.052 |
| Molar Refractivity |
53.71 |
| Net Charge |
1 |
| HBD |
2 |
| HBA |
3 |
| Rt Bonds |
1 |
| Rings |
2 |
| TPSA |
63.83 |
| Hetero Atoms |
4 |
| Heavy Atoms |
13 |
| Aromatic Heavy Atoms |
10 |
| Melting Point (°C) |
273 |
| Boiling Point (°C@760.00mm Hg) |
|
| Vapor Pressure (mmHg@25.00 °C) |
|
| Vapor Density (Air =1) |
|
| Fraction Csp3 |
0.00 |
| LogP |
0.915 |
| iLOGP |
0.00 |
| XLOGP3 |
1.80 |
| WLOGP |
1.53 |
| MLOGP |
1.49 |
| ESOL Log S |
-2.70 |
| ESOL Solubility (mg/ml) |
0.396 |
| ESOL Solubility (mol/l) |
0.002 |
| ESOL Class: esol_class |
Soluble |
| Ali Log S |
-2.76 |
| Ali Solubility (mg/ml) |
0.34 |
| Ali Solubility (mol/l) |
0 |
| Ali Class |
Soluble |
| Silicos-IT LogSw |
-3.01 |
| Silicos-IT Solubility (mg/ml) |
0.19 |
| Silicos-IT Solubility (mol/l) |
0 |
| Silicos-IT Class |
Soluble |
| Name |
Value |
| GI Absorption |
High |
| BBB Permeable |
1 |
| PgP Substrate |
0 |
| Log Kp (cm/s) |
-6.22 |
| Bioavailability Score |
0.55 |
| Caco2 |
1 |
| Human Intestinal Absorption |
1 |
| Plasm Protein Binding |
0.601 |
| CYP1A2 Inhibitor |
1 |
| CYP2C19 Inhibitor |
0 |
| CYP2C9 Inhibitor |
0 |
| CYP2D6 inhibitor |
0 |
| CYP3A4 inhibitor |
0 |
| Ames mutagenesis |
1 |
| Acute Oral Toxicity |
3.868 |
| Carcinogenicity (Binary) |
0 |
| Carcinogenicity (Trinary) |
Non-required |
| Eye Irritation |
1 |
| Hepatotoxicity |
1 |
| Androgen Receptor Binding |
0 |
| Aromatase Binding |
0 |
| Estrogen Receptor Binding |
0 |
| Glucocorticoid Receptor Binding |
0 |
| Thyroid Receptor Binding |
1 |
| BRCP inhibitor |
0 |
| BSEP inhibitor |
0 |
| OATP1B1 inhibitor |
1 |
| OATP1B3 inhibitor |
1 |
| OATP2B1 inhibitor |
0 |
| OCT1 inhibitor |
0 |
| OCT2 inhibitor |
1 |
