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[ CAS No. 14459-95-1 ] {[proInfo.proName]}

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Chemical Structure| 14459-95-1
Chemical Structure| 14459-95-1
Structure of 14459-95-1 * Storage: {[proInfo.prStorage]}

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Product Details of [ 14459-95-1 ]

CAS No. :14459-95-1 MDL No. :MFCD00167023
Formula : C6H6FeK4N6O3 Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 422.39 Pubchem ID :-
Synonyms :
Chemical Name :Potassiumhexacyanoferrate(II) trihydrate

Calculated chemistry of [ 14459-95-1 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 20
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 9.0
Num. H-bond donors : 3.0
Molar Refractivity : 42.82
TPSA : 170.43 ?2

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : Yes
Log Kp (skin permeation) : -9.6 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : -1.02
Log Po/w (WLOGP) : -0.09
Log Po/w (MLOGP) : -5.74
Log Po/w (SILICOS-IT) : -1.82
Consensus Log Po/w : -1.73

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 1.0
Egan : 1.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -1.82
Solubility : 6.45 mg/ml ; 0.0153 mol/l
Class : Very soluble
Log S (Ali) : -2.07
Solubility : 3.58 mg/ml ; 0.00848 mol/l
Class : Soluble
Log S (SILICOS-IT) : -0.61
Solubility : 103.0 mg/ml ; 0.245 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 5.58

Safety of [ 14459-95-1 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P273-P501 UN#:N/A
Hazard Statements:H412-H315 Packing Group:N/A
GHS Pictogram:
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