Alternatived Products of [ 14523-22-9 ]
Product Details of [ 14523-22-9 ]
CAS No. : | 14523-22-9 |
MDL No. : | MFCD00135610 |
Formula : |
C4O4Cl2Rh2
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | DJDMLEXKWQIKCT-UHFFFAOYSA-N |
M.W : |
388.76
|
Pubchem ID : | 45072191 |
Synonyms : |
|
Calculated chemistry of [ 14523-22-9 ] Expand+
Physicochemical Properties
Num. heavy atoms : |
12 |
Num. arom. heavy atoms : |
0 |
Fraction Csp3 : |
0.0 |
Num. rotatable bonds : |
0 |
Num. H-bond acceptors : |
4.0 |
Num. H-bond donors : |
4.0 |
Molar Refractivity : |
35.0 |
TPSA : |
80.92 ?2 |
Pharmacokinetics
GI absorption : |
Low |
BBB permeant : |
No |
P-gp substrate : |
No |
CYP1A2 inhibitor : |
No |
CYP2C19 inhibitor : |
No |
CYP2C9 inhibitor : |
No |
CYP2D6 inhibitor : |
No |
CYP3A4 inhibitor : |
Yes |
Log Kp (skin permeation) : |
-7.46 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
0.0 |
Log Po/w (XLOGP3) : |
1.74 |
Log Po/w (WLOGP) : |
-6.69 |
Log Po/w (MLOGP) : |
-1.96 |
Log Po/w (SILICOS-IT) : |
-3.87 |
Consensus Log Po/w : |
-2.16 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
1.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
-3.37 |
Solubility : |
0.167 mg/ml ; 0.000425 mol/l |
Class : |
Soluble |
Log S (Ali) : |
-3.06 |
Solubility : |
0.345 mg/ml ; 0.000879 mol/l |
Class : |
Soluble |
Log S (SILICOS-IT) : |
-2.15 |
Solubility : |
2.77 mg/ml ; 0.00706 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
0.0 alert |
Leadlikeness : |
1.0 |
Synthetic accessibility : |
3.96 |
Categories