Alternatived Products of [ 36443-80-8 ]
Product Details of [ 36443-80-8 ]
CAS No. : | 36443-80-8 |
MDL No. : | MFCD07784451 |
Formula : |
C11H13ClN2
|
Boiling Point : |
No data available |
Linear Structure Formula : | - |
InChI Key : | FCRZSGZCOGHOGF-UHFFFAOYSA-M |
M.W : |
208.69
|
Pubchem ID : | 10560335 |
Synonyms : |
|
Calculated chemistry of [ 36443-80-8 ] Expand+
Physicochemical Properties
Num. heavy atoms : |
14 |
Num. arom. heavy atoms : |
11 |
Fraction Csp3 : |
0.18 |
Num. rotatable bonds : |
2 |
Num. H-bond acceptors : |
0.0 |
Num. H-bond donors : |
0.0 |
Molar Refractivity : |
59.63 |
TPSA : |
8.81 ?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) : |
-5.77 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
-3.28 |
Log Po/w (XLOGP3) : |
2.54 |
Log Po/w (WLOGP) : |
-1.64 |
Log Po/w (MLOGP) : |
1.93 |
Log Po/w (SILICOS-IT) : |
1.51 |
Consensus Log Po/w : |
0.21 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
0.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
-3.18 |
Solubility : |
0.137 mg/ml ; 0.000655 mol/l |
Class : |
Soluble |
Log S (Ali) : |
-2.37 |
Solubility : |
0.886 mg/ml ; 0.00425 mol/l |
Class : |
Soluble |
Log S (SILICOS-IT) : |
-2.89 |
Solubility : |
0.268 mg/ml ; 0.00128 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
1.0 alert |
Leadlikeness : |
1.0 |
Synthetic accessibility : |
1.44 |