Alternatived Products of [ 1432610-21-3 ]
Product Details of [ 1432610-21-3 ]
CAS No. : | 1432610-21-3 |
MDL No. : | MFCD20488081 |
Formula : |
C8H7BO3
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | GCDOPNZOLYBYNO-UHFFFAOYSA-N |
M.W : |
161.95
|
Pubchem ID : | 53405498 |
Synonyms : |
|
Chemical Name : | Benzofuran-7-ylboronic acid |
Calculated chemistry of [ 1432610-21-3 ] Expand+
Physicochemical Properties
Num. heavy atoms : |
12 |
Num. arom. heavy atoms : |
9 |
Fraction Csp3 : |
0.0 |
Num. rotatable bonds : |
1 |
Num. H-bond acceptors : |
3.0 |
Num. H-bond donors : |
2.0 |
Molar Refractivity : |
46.04 |
TPSA : |
53.6 ?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) : |
-6.41 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
0.0 |
Log Po/w (XLOGP3) : |
1.23 |
Log Po/w (WLOGP) : |
0.11 |
Log Po/w (MLOGP) : |
-0.24 |
Log Po/w (SILICOS-IT) : |
-0.23 |
Consensus Log Po/w : |
0.18 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
1.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
-2.11 |
Solubility : |
1.26 mg/ml ; 0.0078 mol/l |
Class : |
Soluble |
Log S (Ali) : |
-1.95 |
Solubility : |
1.8 mg/ml ; 0.0111 mol/l |
Class : |
Very soluble |
Log S (SILICOS-IT) : |
-2.17 |
Solubility : |
1.1 mg/ml ; 0.00681 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
1.0 alert |
Leadlikeness : |
1.0 |
Synthetic accessibility : |
2.77 |
Safety of [ 1432610-21-3 ]