Alternatived Products of [ 14338-32-0 ]
Product Details of [ 14338-32-0 ]
CAS No. : | 14338-32-0 |
MDL No. : | MFCD00011984 |
Formula : |
C6H7ClIN
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | ABFPKTQEQNICFT-UHFFFAOYSA-M |
M.W : |
255.48
|
Pubchem ID : | 167069 |
Synonyms : |
|
Calculated chemistry of [ 14338-32-0 ] Expand+
Physicochemical Properties
Num. heavy atoms : |
9 |
Num. arom. heavy atoms : |
6 |
Fraction Csp3 : |
0.17 |
Num. rotatable bonds : |
0 |
Num. H-bond acceptors : |
0.0 |
Num. H-bond donors : |
0.0 |
Molar Refractivity : |
49.06 |
TPSA : |
3.88 ?2 |
Pharmacokinetics
GI absorption : |
Low |
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) : |
-5.87 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
-1.52 |
Log Po/w (XLOGP3) : |
2.8 |
Log Po/w (WLOGP) : |
-1.83 |
Log Po/w (MLOGP) : |
2.06 |
Log Po/w (SILICOS-IT) : |
1.68 |
Consensus Log Po/w : |
0.64 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
1.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
-3.68 |
Solubility : |
0.0532 mg/ml ; 0.000208 mol/l |
Class : |
Soluble |
Log S (Ali) : |
-2.54 |
Solubility : |
0.74 mg/ml ; 0.0029 mol/l |
Class : |
Soluble |
Log S (SILICOS-IT) : |
-2.17 |
Solubility : |
1.74 mg/ml ; 0.00681 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
3.0 alert |
Leadlikeness : |
0.0 |
Synthetic accessibility : |
1.34 |