Alternatived Products of [ 15754-60-6 ]
Product Details of [ 15754-60-6 ]
CAS No. : | 15754-60-6 |
MDL No. : | MFCD12192641 |
Formula : |
C7H12N2
|
Boiling Point : |
No data available |
Linear Structure Formula : | - |
InChI Key : | QUSOBKIKODRYSH-UHFFFAOYSA-N |
M.W : |
124.18
|
Pubchem ID : | 13469815 |
Synonyms : |
|
Calculated chemistry of [ 15754-60-6 ] Expand+
Physicochemical Properties
Num. heavy atoms : |
9 |
Num. arom. heavy atoms : |
5 |
Fraction Csp3 : |
0.57 |
Num. rotatable bonds : |
1 |
Num. H-bond acceptors : |
1.0 |
Num. H-bond donors : |
0.0 |
Molar Refractivity : |
37.79 |
TPSA : |
17.82 Ų |
Pharmacokinetics
GI absorption : |
High |
BBB permeant : |
Yes |
P-gp substrate : |
No |
CYP1A2 inhibitor : |
No |
CYP2C19 inhibitor : |
No |
CYP2C9 inhibitor : |
No |
CYP2D6 inhibitor : |
No |
CYP3A4 inhibitor : |
No |
Log Kp (skin permeation) : |
-6.26 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
1.88 |
Log Po/w (XLOGP3) : |
1.12 |
Log Po/w (WLOGP) : |
1.64 |
Log Po/w (MLOGP) : |
1.08 |
Log Po/w (SILICOS-IT) : |
0.92 |
Consensus Log Po/w : |
1.33 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
1.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
-1.66 |
Solubility : |
2.71 mg/ml ; 0.0218 mol/l |
Class : |
Very soluble |
Log S (Ali) : |
-1.09 |
Solubility : |
10.1 mg/ml ; 0.0817 mol/l |
Class : |
Very soluble |
Log S (SILICOS-IT) : |
-1.58 |
Solubility : |
3.3 mg/ml ; 0.0265 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
0.0 alert |
Leadlikeness : |
1.0 |
Synthetic accessibility : |
1.15 |