Alternatived Products of [ 65039-10-3 ]
Product Details of [ 65039-10-3 ]
CAS No. : | 65039-10-3 |
MDL No. : | MFCD07784450 |
Formula : |
C7H11ClN2
|
Boiling Point : |
No data available |
Linear Structure Formula : | - |
InChI Key : | QVRCRKLLQYOIKY-UHFFFAOYSA-M |
M.W : |
158.63
|
Pubchem ID : | 11321106 |
Synonyms : |
|
Calculated chemistry of [ 65039-10-3 ] Expand+
Physicochemical Properties
Num. heavy atoms : |
10 |
Num. arom. heavy atoms : |
5 |
Fraction Csp3 : |
0.29 |
Num. rotatable bonds : |
2 |
Num. H-bond acceptors : |
0.0 |
Num. H-bond donors : |
0.0 |
Molar Refractivity : |
44.28 |
TPSA : |
8.81 ?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) : |
-6.07 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
-1.7 |
Log Po/w (XLOGP3) : |
1.69 |
Log Po/w (WLOGP) : |
-2.5 |
Log Po/w (MLOGP) : |
0.91 |
Log Po/w (SILICOS-IT) : |
0.55 |
Consensus Log Po/w : |
-0.21 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
1.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
-2.13 |
Solubility : |
1.19 mg/ml ; 0.00748 mol/l |
Class : |
Soluble |
Log S (Ali) : |
-1.49 |
Solubility : |
5.13 mg/ml ; 0.0324 mol/l |
Class : |
Very soluble |
Log S (SILICOS-IT) : |
-0.78 |
Solubility : |
26.3 mg/ml ; 0.166 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
2.0 alert |
Leadlikeness : |
1.0 |
Synthetic accessibility : |
1.99 |