Alternatived Products of [ 95734-82-0 ]
Product Details of [ 95734-82-0 ]
CAS No. : 95734-82-0
MDL No. : MFCD00866374
Formula :
C2 H8 N2 O3 Pt
Boiling Point :
-
Linear Structure Formula : -
InChI Key : -
M.W :
303.17
Pubchem ID : -
Synonyms :
NSC 375101D;NSC 375101
Calculated chemistry of [ 95734-82-0 ]
Physicochemical Properties
Num. heavy atoms :
8
Num. arom. heavy atoms :
0
Fraction Csp3 :
0.5
Num. rotatable bonds :
1
Num. H-bond acceptors :
5.0
Num. H-bond donors :
2.0
Molar Refractivity :
20.64
TPSA :
69.67 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) :
-11.59 cm/s
Lipophilicity
Log Po/w (iLOGP) :
0.0
Log Po/w (XLOGP3) :
-4.85
Log Po/w (WLOGP) :
-1.19
Log Po/w (MLOGP) :
-3.05
Log Po/w (SILICOS-IT) :
-0.81
Consensus Log Po/w :
-1.98
Druglikeness
Lipinski :
0.0
Ghose :
None
Veber :
0.0
Egan :
0.0
Muegge :
2.0
Bioavailability Score :
0.55
Water Solubility
Log S (ESOL) :
1.4
Solubility :
7650.0 mg/ml ; 25.2 mol/l
Class :
Highly soluble
Log S (Ali) :
4.02
Solubility :
3160000.0 mg/ml ; 10400.0 mol/l
Class :
Highly soluble
Log S (SILICOS-IT) :
1.04
Solubility :
3360.0 mg/ml ; 11.1 mol/l
Class :
Soluble
Medicinal Chemistry
PAINS :
0.0 alert
Brenk :
0.0 alert
Leadlikeness :
0.0
Synthetic accessibility :
1.46
Safety of [ 95734-82-0 ]
Signal Word: Warning
Class: N/A
Precautionary Statements: P280-P305+P351+P338
UN#: N/A
Hazard Statements: H302
Packing Group: N/A
GHS Pictogram: