Alternatived Products of [ 1373253-20-3 ]
Product Details of [ 1373253-20-3 ]
CAS No. : | 1373253-20-3 |
MDL No. : | MFCD22194318 |
Formula : |
C3H7ClN2O
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | DCQHTUPOWLBQSF-UHFFFAOYSA-N |
M.W : | 122.55 g/mol |
Pubchem ID : | 56965782 |
Synonyms : |
|
Calculated chemistry of [ 1373253-20-3 ]
Physicochemical Properties
Num. heavy atoms : |
7 |
Num. arom. heavy atoms : |
0 |
Fraction Csp3 : |
0.67 |
Num. rotatable bonds : |
0 |
Num. H-bond acceptors : |
2.0 |
Num. H-bond donors : |
2.0 |
Molar Refractivity : |
35.02 |
TPSA : |
41.13 Ų |
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) : |
-7.18 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
0.0 |
Log Po/w (XLOGP3) : |
-0.19 |
Log Po/w (WLOGP) : |
-1.3 |
Log Po/w (MLOGP) : |
-0.79 |
Log Po/w (SILICOS-IT) : |
0.39 |
Consensus Log Po/w : |
-0.38 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
2.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
-0.48 |
Solubility : |
40.6 mg/ml ; 0.331 mol/l |
Class : |
Very soluble |
Log S (Ali) : |
-0.22 |
Solubility : |
74.2 mg/ml ; 0.606 mol/l |
Class : |
Very soluble |
Log S (SILICOS-IT) : |
-0.6 |
Solubility : |
31.1 mg/ml ; 0.254 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
0.0 alert |
Leadlikeness : |
1.0 |
Synthetic accessibility : |
1.04 |
Safety of [ 1373253-20-3 ]