Alternatived Products of [ 219310-09-5 ]
Product Details of [ 219310-09-5 ]
CAS No. : | 219310-09-5 |
MDL No. : | MFCD01862852 |
Formula : |
C6H14ClNO2
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | - |
M.W : |
167.63
|
Pubchem ID : | - |
Synonyms : |
|
Calculated chemistry of [ 219310-09-5 ] Expand+
Physicochemical Properties
Num. heavy atoms : |
10 |
Num. arom. heavy atoms : |
0 |
Fraction Csp3 : |
0.83 |
Num. rotatable bonds : |
3 |
Num. H-bond acceptors : |
3.0 |
Num. H-bond donors : |
2.0 |
Molar Refractivity : |
42.4 |
TPSA : |
63.32 ?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) : |
-8.25 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
0.0 |
Log Po/w (XLOGP3) : |
-1.3 |
Log Po/w (WLOGP) : |
1.25 |
Log Po/w (MLOGP) : |
0.75 |
Log Po/w (SILICOS-IT) : |
-0.15 |
Consensus Log Po/w : |
0.11 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
1.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
0.14 |
Solubility : |
230.0 mg/ml ; 1.37 mol/l |
Class : |
Highly soluble |
Log S (Ali) : |
0.47 |
Solubility : |
493.0 mg/ml ; 2.94 mol/l |
Class : |
Highly soluble |
Log S (SILICOS-IT) : |
-0.14 |
Solubility : |
123.0 mg/ml ; 0.733 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
0.0 alert |
Leadlikeness : |
1.0 |
Synthetic accessibility : |
1.58 |
Safety of [ 219310-09-5 ]
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