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[ CAS No. 5965-38-8 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 5965-38-8
Chemical Structure| 5965-38-8
Structure of 5965-38-8 * Storage: {[proInfo.prStorage]}

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Product Details of [ 5965-38-8 ]

CAS No. :5965-38-8 MDL No. :MFCD03414148
Formula : C2H4CoO6 Boiling Point : -
Linear Structure Formula :- InChI Key :MWHSMSAKVHVSAS-UHFFFAOYSA-L
M.W : 182.98 Pubchem ID :12096404
Synonyms :

Calculated chemistry of [ 5965-38-8 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 9
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 6.0
Num. H-bond donors : 2.0
Molar Refractivity : 17.48
TPSA : 86.74 ?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) : -7.83 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : -0.58
Log Po/w (WLOGP) : -1.13
Log Po/w (MLOGP) : -3.55
Log Po/w (SILICOS-IT) : 0.01
Consensus Log Po/w : -1.05

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -0.61
Solubility : 45.0 mg/ml ; 0.246 mol/l
Class : Very soluble
Log S (Ali) : -0.77
Solubility : 31.0 mg/ml ; 0.169 mol/l
Class : Very soluble
Log S (SILICOS-IT) : 0.13
Solubility : 246.0 mg/ml ; 1.34 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.2

Safety of [ 5965-38-8 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P264-P270-P280-P301+P312+P330-P302+P352+P312-P362+P364-P501 UN#:N/A
Hazard Statements:H302-H312 Packing Group:N/A
GHS Pictogram:
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