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[ CAS No. 12069-69-1 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 12069-69-1
Chemical Structure| 12069-69-1
Structure of 12069-69-1 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 12069-69-1 ]

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Product Details of [ 12069-69-1 ]

CAS No. :12069-69-1 MDL No. :MFCD00010976
Formula : CH2Cu2O5 Boiling Point : No data available
Linear Structure Formula :- InChI Key :-
M.W : 221.12 Pubchem ID :-
Synonyms :
Chemical Name :Basic copper carbonate

Calculated chemistry of [ 12069-69-1 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 8
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.0
Num. rotatable bonds : 4
Num. H-bond acceptors : 5.0
Num. H-bond donors : 2.0
Molar Refractivity : 11.44
TPSA : 75.99 ?2

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) : -7.98 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : -0.46
Log Po/w (WLOGP) : -0.29
Log Po/w (MLOGP) : -3.28
Log Po/w (SILICOS-IT) : -1.31
Consensus Log Po/w : -1.07

Druglikeness

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

Water Solubility

Log S (ESOL) : -0.66
Solubility : 48.7 mg/ml ; 0.22 mol/l
Class : Very soluble
Log S (Ali) : -0.67
Solubility : 47.3 mg/ml ; 0.214 mol/l
Class : Very soluble
Log S (SILICOS-IT) : 1.39
Solubility : 5470.0 mg/ml ; 24.7 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.89

Safety of [ 12069-69-1 ]

Signal Word:Danger Class:9
Precautionary Statements:P273-P280-P301+P312+P330-P302+P352+P312-P305+P351+P338+P310 UN#:3077
Hazard Statements:H302+H312-H315-H318-H411 Packing Group:
GHS Pictogram:
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