Alternatived Products of [ 266360-42-3 ]
Product Details of [ 266360-42-3 ]
CAS No. : | 266360-42-3 |
MDL No. : | MFCD00236244 |
Formula : |
C9H9F2NO2
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | KSUXKFDPNKLPHX-ZETCQYMHSA-N |
M.W : |
201.17
|
Pubchem ID : | 7154023 |
Synonyms : |
|
Calculated chemistry of [ 266360-42-3 ] Expand+
Physicochemical Properties
Num. heavy atoms : |
14 |
Num. arom. heavy atoms : |
6 |
Fraction Csp3 : |
0.22 |
Num. rotatable bonds : |
3 |
Num. H-bond acceptors : |
5.0 |
Num. H-bond donors : |
2.0 |
Molar Refractivity : |
45.42 |
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) : |
-8.39 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
1.23 |
Log Po/w (XLOGP3) : |
-1.21 |
Log Po/w (WLOGP) : |
1.76 |
Log Po/w (MLOGP) : |
-0.27 |
Log Po/w (SILICOS-IT) : |
1.74 |
Consensus Log Po/w : |
0.65 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
0.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
-0.44 |
Solubility : |
72.4 mg/ml ; 0.36 mol/l |
Class : |
Very soluble |
Log S (Ali) : |
0.37 |
Solubility : |
477.0 mg/ml ; 2.37 mol/l |
Class : |
Highly soluble |
Log S (SILICOS-IT) : |
-2.43 |
Solubility : |
0.749 mg/ml ; 0.00372 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
0.0 alert |
Leadlikeness : |
1.0 |
Synthetic accessibility : |
2.2 |
Safety of [ 266360-42-3 ]
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