Alternatived Products of [ 35674-20-5 ]
Product Details of [ 35674-20-5 ]
CAS No. : 35674-20-5
MDL No. : MFCD01661254
Formula :
C7 H4 I2 O2
Boiling Point :
-
Linear Structure Formula : -
InChI Key : DFYULHRIYLAUJM-UHFFFAOYSA-N
M.W :
373.91
Pubchem ID : 215424
Synonyms :
Calculated chemistry of [ 35674-20-5 ]
Physicochemical Properties
Num. heavy atoms :
11
Num. arom. heavy atoms :
6
Fraction Csp3 :
0.0
Num. rotatable bonds :
1
Num. H-bond acceptors :
2.0
Num. H-bond donors :
1.0
Molar Refractivity :
58.84
TPSA :
37.3 Ų
Pharmacokinetics
GI absorption :
High
BBB permeant :
Yes
P-gp substrate :
No
CYP1A2 inhibitor :
No
CYP2C19 inhibitor :
No
CYP2C9 inhibitor :
Yes
CYP2D6 inhibitor :
No
CYP3A4 inhibitor :
No
Log Kp (skin permeation) :
-6.63 cm/s
Lipophilicity
Log Po/w (iLOGP) :
1.74
Log Po/w (XLOGP3) :
2.75
Log Po/w (WLOGP) :
2.59
Log Po/w (MLOGP) :
3.38
Log Po/w (SILICOS-IT) :
3.15
Consensus Log Po/w :
2.72
Druglikeness
Lipinski :
0.0
Ghose :
None
Veber :
0.0
Egan :
0.0
Muegge :
0.0
Bioavailability Score :
0.85
Water Solubility
Log S (ESOL) :
-4.23
Solubility :
0.0221 mg/ml ; 0.0000591 mol/l
Class :
Moderately soluble
Log S (Ali) :
-3.19
Solubility :
0.242 mg/ml ; 0.000648 mol/l
Class :
Soluble
Log S (SILICOS-IT) :
-3.61
Solubility :
0.0909 mg/ml ; 0.000243 mol/l
Class :
Soluble
Medicinal Chemistry
PAINS :
0.0 alert
Brenk :
1.0 alert
Leadlikeness :
1.0
Synthetic accessibility :
1.7