Alternatived Products of [ 1303973-86-5 ]
Product Details of [ 1303973-86-5 ]
CAS No. : | 1303973-86-5 |
MDL No. : | |
Formula : |
C12H19F2NO4
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | QYHGUUKIPMWLMC-UHFFFAOYSA-N |
M.W : | 279.28 |
Pubchem ID : | 105530168 |
Synonyms : |
|
Calculated chemistry of [ 1303973-86-5 ]
Physicochemical Properties
Num. heavy atoms : |
19 |
Num. arom. heavy atoms : |
0 |
Fraction Csp3 : |
0.83 |
Num. rotatable bonds : |
5 |
Num. H-bond acceptors : |
6.0 |
Num. H-bond donors : |
0.0 |
Molar Refractivity : |
67.63 |
TPSA : |
55.84 Ų |
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) : |
-6.75 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
2.89 |
Log Po/w (XLOGP3) : |
1.77 |
Log Po/w (WLOGP) : |
2.51 |
Log Po/w (MLOGP) : |
1.58 |
Log Po/w (SILICOS-IT) : |
1.5 |
Consensus Log Po/w : |
2.05 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
0.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
-2.36 |
Solubility : |
1.23 mg/ml ; 0.0044 mol/l |
Class : |
Soluble |
Log S (Ali) : |
-2.56 |
Solubility : |
0.768 mg/ml ; 0.00275 mol/l |
Class : |
Soluble |
Log S (SILICOS-IT) : |
-1.9 |
Solubility : |
3.56 mg/ml ; 0.0127 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
1.0 alert |
Leadlikeness : |
0.0 |
Synthetic accessibility : |
3.12 |
Safety of [ 1303973-86-5 ]