Alternatived Products of [ 330671-29-9 ]
Product Details of [ 330671-29-9 ]
CAS No. : | 330671-29-9 |
MDL No. : | MFCD08458501 |
Formula : |
C9H20F6NP
|
Boiling Point : |
No data available |
Linear Structure Formula : | - |
InChI Key : | HCGXEKKFZYYPFF-UHFFFAOYSA-N |
M.W : |
287.23
|
Pubchem ID : | 53316409 |
Synonyms : |
|
Calculated chemistry of [ 330671-29-9 ] Expand+
Physicochemical Properties
Num. heavy atoms : |
17 |
Num. arom. heavy atoms : |
0 |
Fraction Csp3 : |
1.0 |
Num. rotatable bonds : |
3 |
Num. H-bond acceptors : |
6.0 |
Num. H-bond donors : |
0.0 |
Molar Refractivity : |
64.7 |
TPSA : |
13.59 ?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 : |
Yes |
Log Kp (skin permeation) : |
-4.33 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
0.0 |
Log Po/w (XLOGP3) : |
5.24 |
Log Po/w (WLOGP) : |
7.55 |
Log Po/w (MLOGP) : |
-0.66 |
Log Po/w (SILICOS-IT) : |
2.05 |
Consensus Log Po/w : |
2.84 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
1.0 |
Muegge : |
1.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
-4.72 |
Solubility : |
0.00542 mg/ml ; 0.0000189 mol/l |
Class : |
Moderately soluble |
Log S (Ali) : |
-5.27 |
Solubility : |
0.00153 mg/ml ; 0.00000532 mol/l |
Class : |
Moderately soluble |
Log S (SILICOS-IT) : |
-3.01 |
Solubility : |
0.282 mg/ml ; 0.000982 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
2.0 alert |
Leadlikeness : |
1.0 |
Synthetic accessibility : |
1.68 |
Safety of [ 330671-29-9 ]