Alternatived Products of [ 7300-91-6 ]
Product Details of [ 7300-91-6 ]
CAS No. : | 7300-91-6 |
MDL No. : | MFCD00129167 |
Formula : |
C10H7NO3
|
Boiling Point : |
No data available |
Linear Structure Formula : | C4H2NO2C6H4OH |
InChI Key : | - |
M.W : |
189.17
|
Pubchem ID : | - |
Synonyms : |
|
Calculated chemistry of [ 7300-91-6 ] Expand+
Physicochemical Properties
Num. heavy atoms : |
14 |
Num. arom. heavy atoms : |
6 |
Fraction Csp3 : |
0.0 |
Num. rotatable bonds : |
1 |
Num. H-bond acceptors : |
3.0 |
Num. H-bond donors : |
1.0 |
Molar Refractivity : |
53.03 |
TPSA : |
57.61 ?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) : |
-6.94 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
1.32 |
Log Po/w (XLOGP3) : |
0.73 |
Log Po/w (WLOGP) : |
0.44 |
Log Po/w (MLOGP) : |
0.94 |
Log Po/w (SILICOS-IT) : |
0.76 |
Consensus Log Po/w : |
0.84 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
1.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
-1.72 |
Solubility : |
3.57 mg/ml ; 0.0189 mol/l |
Class : |
Very soluble |
Log S (Ali) : |
-1.52 |
Solubility : |
5.73 mg/ml ; 0.0303 mol/l |
Class : |
Very soluble |
Log S (SILICOS-IT) : |
-1.58 |
Solubility : |
4.99 mg/ml ; 0.0264 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
1.0 alert |
Leadlikeness : |
1.0 |
Synthetic accessibility : |
1.84 |