Alternatived Products of [ 186088-50-6 ]
Product Details of [ 186088-50-6 ]
CAS No. : | 186088-50-6 |
MDL No. : | MFCD03093297 |
Formula : |
C9H14F6NP
|
Boiling Point : |
No data available |
Linear Structure Formula : | - |
InChI Key : | CTMFVASPBJWPFC-UHFFFAOYSA-N |
M.W : |
281.18
|
Pubchem ID : | 2734176 |
Synonyms : |
|
Calculated chemistry of [ 186088-50-6 ] Expand+
Physicochemical Properties
Num. heavy atoms : |
17 |
Num. arom. heavy atoms : |
6 |
Fraction Csp3 : |
0.44 |
Num. rotatable bonds : |
3 |
Num. H-bond acceptors : |
6.0 |
Num. H-bond donors : |
0.0 |
Molar Refractivity : |
58.02 |
TPSA : |
17.47 ?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 : |
No |
Log Kp (skin permeation) : |
-8.33 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
0.0 |
Log Po/w (XLOGP3) : |
-0.44 |
Log Po/w (WLOGP) : |
7.68 |
Log Po/w (MLOGP) : |
2.67 |
Log Po/w (SILICOS-IT) : |
1.97 |
Consensus Log Po/w : |
2.38 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
1.0 |
Muegge : |
0.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
-1.37 |
Solubility : |
12.0 mg/ml ; 0.0427 mol/l |
Class : |
Very soluble |
Log S (Ali) : |
0.54 |
Solubility : |
972.0 mg/ml ; 3.46 mol/l |
Class : |
Highly soluble |
Log S (SILICOS-IT) : |
-2.77 |
Solubility : |
0.474 mg/ml ; 0.00169 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
2.0 alert |
Leadlikeness : |
0.0 |
Synthetic accessibility : |
1.36 |
Safety of [ 186088-50-6 ]
Signal Word: | Warning |
Class: | |
Precautionary Statements: | P305+P351+P338 |
UN#: | |
Hazard Statements: | H315-H319 |
Packing Group: | |
GHS Pictogram: |
|