Alternatived Products of [ 42196-31-6 ]
Product Details of [ 42196-31-6 ]
CAS No. : | 42196-31-6 |
MDL No. : | MFCD00013204 |
Formula : |
C4F6O4Pd
|
Boiling Point : |
No data available |
Linear Structure Formula : | - |
InChI Key : | PBDBXAQKXCXZCJ-UHFFFAOYSA-L |
M.W : |
332.45
|
Pubchem ID : | 2733347 |
Synonyms : |
|
Chemical Name : | Palladium(II) 2,2,2-trifluoroacetate |
Calculated chemistry of [ 42196-31-6 ] Expand+
Physicochemical Properties
Num. heavy atoms : |
15 |
Num. arom. heavy atoms : |
0 |
Fraction Csp3 : |
0.5 |
Num. rotatable bonds : |
2 |
Num. H-bond acceptors : |
10.0 |
Num. H-bond donors : |
0.0 |
Molar Refractivity : |
23.5 |
TPSA : |
80.26 ?2 |
Pharmacokinetics
GI absorption : |
High |
BBB permeant : |
No |
P-gp substrate : |
No |
CYP1A2 inhibitor : |
No |
CYP2C19 inhibitor : |
No |
CYP2C9 inhibitor : |
No |
CYP2D6 inhibitor : |
No |
CYP3A4 inhibitor : |
No |
Log Kp (skin permeation) : |
-7.04 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
0.0 |
Log Po/w (XLOGP3) : |
1.81 |
Log Po/w (WLOGP) : |
1.12 |
Log Po/w (MLOGP) : |
0.6 |
Log Po/w (SILICOS-IT) : |
0.93 |
Consensus Log Po/w : |
0.89 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
1.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
-2.91 |
Solubility : |
0.409 mg/ml ; 0.00123 mol/l |
Class : |
Soluble |
Log S (Ali) : |
-3.11 |
Solubility : |
0.255 mg/ml ; 0.000768 mol/l |
Class : |
Soluble |
Log S (SILICOS-IT) : |
-0.08 |
Solubility : |
275.0 mg/ml ; 0.826 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
0.0 alert |
Leadlikeness : |
0.0 |
Synthetic accessibility : |
1.0 |