Alternatived Products of [ 637347-90-1 ]
Product Details of [ 637347-90-1 ]
CAS No. : | 637347-90-1 |
MDL No. : | MFCD16159157 |
Formula : |
C8H8FNO3
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | IRDKEEYUZLEIGW-UHFFFAOYSA-N |
M.W : |
185.15
|
Pubchem ID : | 23366717 |
Synonyms : |
|
Calculated chemistry of [ 637347-90-1 ]
Physicochemical Properties
Num. heavy atoms : |
13 |
Num. arom. heavy atoms : |
6 |
Fraction Csp3 : |
0.12 |
Num. rotatable bonds : |
2 |
Num. H-bond acceptors : |
4.0 |
Num. H-bond donors : |
2.0 |
Molar Refractivity : |
44.26 |
TPSA : |
72.55 Ų |
Pharmacokinetics
GI absorption : |
High |
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) : |
-6.44 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
1.07 |
Log Po/w (XLOGP3) : |
1.39 |
Log Po/w (WLOGP) : |
1.54 |
Log Po/w (MLOGP) : |
0.06 |
Log Po/w (SILICOS-IT) : |
0.94 |
Consensus Log Po/w : |
1.0 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
1.0 |
Bioavailability Score : |
0.85 |
Water Solubility
Log S (ESOL) : |
-2.07 |
Solubility : |
1.56 mg/ml ; 0.00845 mol/l |
Class : |
Soluble |
Log S (Ali) : |
-2.52 |
Solubility : |
0.563 mg/ml ; 0.00304 mol/l |
Class : |
Soluble |
Log S (SILICOS-IT) : |
-1.82 |
Solubility : |
2.8 mg/ml ; 0.0151 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
1.0 alert |
Leadlikeness : |
1.0 |
Synthetic accessibility : |
1.51 |
Safety of [ 637347-90-1 ]