Alternatived Products of [ 1332370-59-8 ]
Product Details of [ 1332370-59-8 ]
CAS No. : | 1332370-59-8 |
MDL No. : | MFCD27943723 |
Formula : |
C8H5FN2O2
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | N/A |
M.W : | 180.14 g/mol |
Pubchem ID : | - |
Synonyms : |
|
Calculated chemistry of of [ 1332370-59-8 ]
Physicochemical Properties
Num. heavy atoms : |
13 |
Num. arom. heavy atoms : |
9 |
Fraction Csp3 : |
0.0 |
Num. rotatable bonds : |
1 |
Num. H-bond acceptors : |
4.0 |
Num. H-bond donors : |
2.0 |
Molar Refractivity : |
43.01 |
TPSA : |
65.98 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) : |
-6.56 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
0.68 |
Log Po/w (XLOGP3) : |
1.18 |
Log Po/w (WLOGP) : |
1.82 |
Log Po/w (MLOGP) : |
1.15 |
Log Po/w (SILICOS-IT) : |
1.78 |
Consensus Log Po/w : |
1.32 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
1.0 |
Bioavailability Score : |
0.85 |
Water Solubility
Log S (ESOL) : |
-2.15 |
Solubility : |
1.29 mg/ml ; 0.00714 mol/l |
Class : |
Soluble |
Log S (Ali) : |
-2.16 |
Solubility : |
1.24 mg/ml ; 0.0069 mol/l |
Class : |
Soluble |
Log S (SILICOS-IT) : |
-2.56 |
Solubility : |
0.493 mg/ml ; 0.00274 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
0.0 alert |
Leadlikeness : |
1.0 |
Synthetic accessibility : |
1.58 |
Safety of [ 1332370-59-8 ]