Alternatived Products of [ 703-95-7 ]
Product Details of [ 703-95-7 ]
CAS No. : | 703-95-7 |
MDL No. : | MFCD00042526 |
Formula : |
C5H3FN2O4
|
Boiling Point : |
No data available |
Linear Structure Formula : | - |
InChI Key : | SEHFUALWMUWDKS-UHFFFAOYSA-N |
M.W : |
174.09
|
Pubchem ID : | 69711 |
Synonyms : |
|
Chemical Name : | 5-Fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid |
Calculated chemistry of [ 703-95-7 ] Expand+
Physicochemical Properties
Num. heavy atoms : |
12 |
Num. arom. heavy atoms : |
6 |
Fraction Csp3 : |
0.0 |
Num. rotatable bonds : |
1 |
Num. H-bond acceptors : |
5.0 |
Num. H-bond donors : |
3.0 |
Molar Refractivity : |
34.6 |
TPSA : |
103.02 ?2 |
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) : |
-8.02 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
-0.06 |
Log Po/w (XLOGP3) : |
-0.93 |
Log Po/w (WLOGP) : |
-0.68 |
Log Po/w (MLOGP) : |
-0.58 |
Log Po/w (SILICOS-IT) : |
1.12 |
Consensus Log Po/w : |
-0.23 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
1.0 |
Bioavailability Score : |
0.56 |
Water Solubility
Log S (ESOL) : |
-0.64 |
Solubility : |
40.1 mg/ml ; 0.23 mol/l |
Class : |
Very soluble |
Log S (Ali) : |
-0.75 |
Solubility : |
31.0 mg/ml ; 0.178 mol/l |
Class : |
Very soluble |
Log S (SILICOS-IT) : |
-1.12 |
Solubility : |
13.3 mg/ml ; 0.0766 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
0.0 alert |
Leadlikeness : |
1.0 |
Synthetic accessibility : |
1.95 |