Alternatived Products of [ 6638-79-5 ]
Product Details of [ 6638-79-5 ]
CAS No. : | 6638-79-5 |
MDL No. : | MFCD00012485 |
Formula : |
C2H8ClNO
|
Boiling Point : |
- |
Linear Structure Formula : | (CH3)(OCH3)NH·HCl |
InChI Key : | USZLCYNVCCDPLQ-UHFFFAOYSA-N |
M.W : |
97.54
|
Pubchem ID : | 81138 |
Synonyms : |
|
Chemical Name : | N,O-Dimethylhydroxylamine hydrochloride |
Calculated chemistry of [ 6638-79-5 ] Expand+
Physicochemical Properties
Num. heavy atoms : |
5 |
Num. arom. heavy atoms : |
0 |
Fraction Csp3 : |
1.0 |
Num. rotatable bonds : |
1 |
Num. H-bond acceptors : |
2.0 |
Num. H-bond donors : |
1.0 |
Molar Refractivity : |
21.47 |
TPSA : |
21.26 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) : |
-6.44 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
0.0 |
Log Po/w (XLOGP3) : |
0.64 |
Log Po/w (WLOGP) : |
-3.12 |
Log Po/w (MLOGP) : |
0.18 |
Log Po/w (SILICOS-IT) : |
-0.66 |
Consensus Log Po/w : |
-0.59 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
2.0 |
Bioavailability Score : |
0.56 |
Water Solubility
Log S (ESOL) : |
-0.78 |
Solubility : |
16.1 mg/ml ; 0.165 mol/l |
Class : |
Very soluble |
Log S (Ali) : |
-0.66 |
Solubility : |
21.3 mg/ml ; 0.218 mol/l |
Class : |
Very soluble |
Log S (SILICOS-IT) : |
-0.28 |
Solubility : |
51.8 mg/ml ; 0.531 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
1.0 alert |
Leadlikeness : |
1.0 |
Synthetic accessibility : |
2.31 |