Alternatived Products of [ 27848-80-2 ]
Product Details of [ 27848-80-2 ]
CAS No. : | 27848-80-2 |
MDL No. : | MFCD00065512 |
Formula : |
C3H5LiO3
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | GKQWYZBANWAFMQ-DKWTVANSSA-M |
M.W : |
96.01
|
Pubchem ID : | 23687877 |
Synonyms : |
|
Chemical Name : | Lithium (S)-2-hydroxypropanoate |
Calculated chemistry of [ 27848-80-2 ] Expand+
Physicochemical Properties
Num. heavy atoms : |
7 |
Num. arom. heavy atoms : |
0 |
Fraction Csp3 : |
0.67 |
Num. rotatable bonds : |
1 |
Num. H-bond acceptors : |
3.0 |
Num. H-bond donors : |
1.0 |
Molar Refractivity : |
17.53 |
TPSA : |
60.36 ?2 |
Pharmacokinetics
GI absorption : |
Low |
BBB permeant : |
No |
P-gp substrate : |
Yes |
CYP1A2 inhibitor : |
No |
CYP2C19 inhibitor : |
No |
CYP2C9 inhibitor : |
No |
CYP2D6 inhibitor : |
No |
CYP3A4 inhibitor : |
No |
Log Kp (skin permeation) : |
-7.4 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
-12.79 |
Log Po/w (XLOGP3) : |
-0.72 |
Log Po/w (WLOGP) : |
-1.88 |
Log Po/w (MLOGP) : |
-0.85 |
Log Po/w (SILICOS-IT) : |
-0.8 |
Consensus Log Po/w : |
-3.41 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
2.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
0.08 |
Solubility : |
117.0 mg/ml ; 1.21 mol/l |
Class : |
Highly soluble |
Log S (Ali) : |
-0.07 |
Solubility : |
81.4 mg/ml ; 0.848 mol/l |
Class : |
Very soluble |
Log S (SILICOS-IT) : |
0.98 |
Solubility : |
923.0 mg/ml ; 9.62 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
0.0 alert |
Leadlikeness : |
1.0 |
Synthetic accessibility : |
1.52 |