Alternatived Products of [ 28148-54-1 ]
Product Details of [ 28148-54-1 ]
CAS No. : 28148-54-1
MDL No. : MFCD00012876
Formula :
C4 H10 ClN
Boiling Point :
-
Linear Structure Formula : -
InChI Key : IOXCSDPJYGPYFW-UHFFFAOYSA-N
M.W :
107.58
Pubchem ID : 11953772
Synonyms :
Calculated chemistry of [ 28148-54-1 ]
Physicochemical Properties
Num. heavy atoms :
6
Num. arom. heavy atoms :
0
Fraction Csp3 :
0.5
Num. rotatable bonds :
1
Num. H-bond acceptors :
1.0
Num. H-bond donors :
1.0
Molar Refractivity :
30.54
TPSA :
26.02 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) :
-6.0 cm/s
Lipophilicity
Log Po/w (iLOGP) :
0.0
Log Po/w (XLOGP3) :
1.35
Log Po/w (WLOGP) :
1.32
Log Po/w (MLOGP) :
1.01
Log Po/w (SILICOS-IT) :
0.04
Consensus Log Po/w :
0.74
Druglikeness
Lipinski :
0.0
Ghose :
None
Veber :
0.0
Egan :
0.0
Muegge :
3.0
Bioavailability Score :
0.55
Water Solubility
Log S (ESOL) :
-1.29
Solubility :
5.5 mg/ml ; 0.0511 mol/l
Class :
Very soluble
Log S (Ali) :
-1.5
Solubility :
3.41 mg/ml ; 0.0317 mol/l
Class :
Very soluble
Log S (SILICOS-IT) :
-0.62
Solubility :
26.0 mg/ml ; 0.242 mol/l
Class :
Soluble
Medicinal Chemistry
PAINS :
0.0 alert
Brenk :
1.0 alert
Leadlikeness :
1.0
Synthetic accessibility :
1.04