Alternatived Products of [ 2268-01-1 ]
Product Details of [ 2268-01-1 ]
CAS No. : 2268-01-1
MDL No. : MFCD18415632
Formula :
C6 H3 ClF2 O
Boiling Point :
-
Linear Structure Formula : -
InChI Key : FJNAUWSPXWEXIW-UHFFFAOYSA-N
M.W :
164.54
Pubchem ID : 71436178
Synonyms :
Calculated chemistry of [ 2268-01-1 ]
Physicochemical Properties
Num. heavy atoms :
10
Num. arom. heavy atoms :
6
Fraction Csp3 :
0.0
Num. rotatable bonds :
0
Num. H-bond acceptors :
3.0
Num. H-bond donors :
1.0
Molar Refractivity :
33.39
TPSA :
20.23 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) :
-5.6 cm/s
Lipophilicity
Log Po/w (iLOGP) :
1.74
Log Po/w (XLOGP3) :
2.4
Log Po/w (WLOGP) :
3.16
Log Po/w (MLOGP) :
2.94
Log Po/w (SILICOS-IT) :
2.86
Consensus Log Po/w :
2.62
Druglikeness
Lipinski :
0.0
Ghose :
None
Veber :
0.0
Egan :
0.0
Muegge :
2.0
Bioavailability Score :
0.55
Water Solubility
Log S (ESOL) :
-2.82
Solubility :
0.251 mg/ml ; 0.00153 mol/l
Class :
Soluble
Log S (Ali) :
-2.47
Solubility :
0.562 mg/ml ; 0.00342 mol/l
Class :
Soluble
Log S (SILICOS-IT) :
-2.99
Solubility :
0.169 mg/ml ; 0.00103 mol/l
Class :
Soluble
Medicinal Chemistry
PAINS :
0.0 alert
Brenk :
1.0 alert
Leadlikeness :
1.0
Synthetic accessibility :
1.58