Alternatived Products of [ 14383-51-8 ]
Product Details of [ 14383-51-8 ]
CAS No. : | 14383-51-8 |
MDL No. : | |
Formula : |
C7H14ClNO
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | - |
M.W : |
163.65
|
Pubchem ID : | - |
Synonyms : |
|
Chemical Name : | endo-8-Azabicyclo[3.2.1]octan-3-ol hydrochloride |
Calculated chemistry of [ 14383-51-8 ] Expand+
Physicochemical Properties
Num. heavy atoms : |
10 |
Num. arom. heavy atoms : |
0 |
Fraction Csp3 : |
1.0 |
Num. rotatable bonds : |
0 |
Num. H-bond acceptors : |
2.0 |
Num. H-bond donors : |
2.0 |
Molar Refractivity : |
46.38 |
TPSA : |
32.26 ?2 |
Pharmacokinetics
GI absorption : |
High |
BBB permeant : |
Yes |
P-gp substrate : |
No |
CYP1A2 inhibitor : |
No |
CYP2C19 inhibitor : |
No |
CYP2C9 inhibitor : |
No |
CYP2D6 inhibitor : |
No |
CYP3A4 inhibitor : |
No |
Log Kp (skin permeation) : |
-6.52 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
0.0 |
Log Po/w (XLOGP3) : |
1.09 |
Log Po/w (WLOGP) : |
0.68 |
Log Po/w (MLOGP) : |
0.9 |
Log Po/w (SILICOS-IT) : |
0.78 |
Consensus Log Po/w : |
0.69 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
1.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
-1.54 |
Solubility : |
4.71 mg/ml ; 0.0288 mol/l |
Class : |
Very soluble |
Log S (Ali) : |
-1.36 |
Solubility : |
7.15 mg/ml ; 0.0437 mol/l |
Class : |
Very soluble |
Log S (SILICOS-IT) : |
-0.56 |
Solubility : |
44.8 mg/ml ; 0.274 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
0.0 alert |
Leadlikeness : |
1.0 |
Synthetic accessibility : |
3.05 |