Alternatived Products of [ 1112-66-9 ]
Product Details of [ 1112-66-9 ]
CAS No. : | 1112-66-9 |
MDL No. : | MFCD00048161 |
Formula : |
C12H20Si
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | AKRQMTFHUVDMIL-UHFFFAOYSA-N |
M.W : |
192.37
|
Pubchem ID : | 565641 |
Synonyms : |
|
Calculated chemistry of [ 1112-66-9 ] Expand+
Physicochemical Properties
Num. heavy atoms : |
13 |
Num. arom. heavy atoms : |
0 |
Fraction Csp3 : |
0.33 |
Num. rotatable bonds : |
8 |
Num. H-bond acceptors : |
0.0 |
Num. H-bond donors : |
0.0 |
Molar Refractivity : |
65.77 |
TPSA : |
0.0 ?2 |
Pharmacokinetics
GI absorption : |
Low |
BBB permeant : |
Yes |
P-gp substrate : |
No |
CYP1A2 inhibitor : |
No |
CYP2C19 inhibitor : |
No |
CYP2C9 inhibitor : |
Yes |
CYP2D6 inhibitor : |
No |
CYP3A4 inhibitor : |
No |
Log Kp (skin permeation) : |
-4.02 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
3.25 |
Log Po/w (XLOGP3) : |
4.87 |
Log Po/w (WLOGP) : |
4.18 |
Log Po/w (MLOGP) : |
4.04 |
Log Po/w (SILICOS-IT) : |
3.0 |
Consensus Log Po/w : |
3.87 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
2.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
-3.57 |
Solubility : |
0.0514 mg/ml ; 0.000267 mol/l |
Class : |
Soluble |
Log S (Ali) : |
-4.6 |
Solubility : |
0.00478 mg/ml ; 0.0000248 mol/l |
Class : |
Moderately soluble |
Log S (SILICOS-IT) : |
-3.39 |
Solubility : |
0.0782 mg/ml ; 0.000406 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
2.0 alert |
Leadlikeness : |
3.0 |
Synthetic accessibility : |
3.92 |