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[ CAS No. 166328-08-1 ] {[proInfo.proName]}

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Chemical Structure| 166328-08-1
Chemical Structure| 166328-08-1
Structure of 166328-08-1 * Storage: {[proInfo.prStorage]}

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Product Details of [ 166328-08-1 ]

CAS No. :166328-08-1 MDL No. :MFCD04039955
Formula : C7H4BF6K Boiling Point : -
Linear Structure Formula :- InChI Key :KVDSXGFQLXKOID-UHFFFAOYSA-N
M.W : 252.01 Pubchem ID :23679121
Synonyms :

Calculated chemistry of [ 166328-08-1 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 15
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.14
Num. rotatable bonds : 2
Num. H-bond acceptors : 6.0
Num. H-bond donors : 0.0
Molar Refractivity : 41.93
TPSA : 0.0 ?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 : No
Log Kp (skin permeation) : -4.77 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 4.32
Log Po/w (WLOGP) : -5.63
Log Po/w (MLOGP) : 3.17
Log Po/w (SILICOS-IT) : 2.34
Consensus Log Po/w : 0.84

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.99
Solubility : 0.0257 mg/ml ; 0.000102 mol/l
Class : Soluble
Log S (Ali) : -4.03
Solubility : 0.0233 mg/ml ; 0.0000925 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -4.17
Solubility : 0.0169 mg/ml ; 0.0000671 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.43

Safety of [ 166328-08-1 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H315-H319-H335 Packing Group:N/A
GHS Pictogram:
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