Alternatived Products of [ 85618-16-2 ]
Product Details of [ 85618-16-2 ]
CAS No. : 85618-16-2
MDL No. : MFCD19216728
Formula :
C2 H8 NO2 P
Boiling Point :
-
Linear Structure Formula : -
InChI Key : WDGPBZIWVBCDOP-UHFFFAOYSA-O
M.W :
109.06
Pubchem ID : 14362803
Synonyms :
Calculated chemistry of [ 85618-16-2 ]
Physicochemical Properties
Num. heavy atoms :
6
Num. arom. heavy atoms :
0
Fraction Csp3 :
1.0
Num. rotatable bonds :
2
Num. H-bond acceptors :
3.0
Num. H-bond donors :
2.0
Molar Refractivity :
24.6
TPSA :
86.79 Ų
Pharmacokinetics
GI absorption :
High
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) :
-10.05 cm/s
Lipophilicity
Log Po/w (iLOGP) :
-0.1
Log Po/w (XLOGP3) :
-4.35
Log Po/w (WLOGP) :
-0.59
Log Po/w (MLOGP) :
-1.37
Log Po/w (SILICOS-IT) :
0.75
Consensus Log Po/w :
-1.13
Druglikeness
Lipinski :
0.0
Ghose :
None
Veber :
0.0
Egan :
0.0
Muegge :
3.0
Bioavailability Score :
0.55
Water Solubility
Log S (ESOL) :
2.36
Solubility :
24800.0 mg/ml ; 227.0 mol/l
Class :
Highly soluble
Log S (Ali) :
3.14
Solubility :
151000.0 mg/ml ; 1380.0 mol/l
Class :
Highly soluble
Log S (SILICOS-IT) :
0.29
Solubility :
213.0 mg/ml ; 1.95 mol/l
Class :
Soluble
Medicinal Chemistry
PAINS :
0.0 alert
Brenk :
1.0 alert
Leadlikeness :
1.0
Synthetic accessibility :
3.7
Safety of [ 85618-16-2 ]
Signal Word: Warning
Class: N/A
Precautionary Statements: P280-P305+P351+P338
UN#: N/A
Hazard Statements: H302
Packing Group: N/A
GHS Pictogram:
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