Alternatived Products of [ 892869-21-5 ]
Product Details of [ 892869-21-5 ]
CAS No. : | 892869-21-5 |
MDL No. : | MFCD10700167 |
Formula : |
C2HBF3K
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | IQENCCCNPRHCMV-UHFFFAOYSA-N |
M.W : |
131.93
|
Pubchem ID : | 46739296 |
Synonyms : |
|
Calculated chemistry of [ 892869-21-5 ]
Physicochemical Properties
Num. heavy atoms : |
7 |
Num. arom. heavy atoms : |
0 |
Fraction Csp3 : |
0.0 |
Num. rotatable bonds : |
0 |
Num. H-bond acceptors : |
3.0 |
Num. H-bond donors : |
0.0 |
Molar Refractivity : |
17.91 |
TPSA : |
0.0 Ų |
Pharmacokinetics
GI absorption : |
Low |
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) : |
-5.64 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
0.0 |
Log Po/w (XLOGP3) : |
2.06 |
Log Po/w (WLOGP) : |
2.35 |
Log Po/w (MLOGP) : |
1.45 |
Log Po/w (SILICOS-IT) : |
0.28 |
Consensus Log Po/w : |
1.23 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
3.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
-1.96 |
Solubility : |
1.46 mg/ml ; 0.0111 mol/l |
Class : |
Very soluble |
Log S (Ali) : |
-1.69 |
Solubility : |
2.7 mg/ml ; 0.0205 mol/l |
Class : |
Very soluble |
Log S (SILICOS-IT) : |
-0.75 |
Solubility : |
23.3 mg/ml ; 0.177 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
2.0 alert |
Leadlikeness : |
1.0 |
Synthetic accessibility : |
2.38 |
Safety of [ 892869-21-5 ]