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[ CAS No. 1192155-06-8 ] {[proInfo.proName]}

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3d Animation Molecule Structure of 1192155-06-8
Chemical Structure| 1192155-06-8
Chemical Structure| 1192155-06-8
Structure of 1192155-06-8 * Storage: {[proInfo.prStorage]}
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Product Details of [ 1192155-06-8 ]

CAS No. :1192155-06-8 MDL No. :MFCD18072597
Formula : C8H7F3N2O2 Boiling Point : -
Linear Structure Formula :- InChI Key :BLOPWFFYYJNVNZ-UHFFFAOYSA-N
M.W : 220.15 Pubchem ID :52987966
Synonyms :

Calculated chemistry of [ 1192155-06-8 ]

Physicochemical Properties

Num. heavy atoms : 15
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.38
Num. rotatable bonds : 4
Num. H-bond acceptors : 7.0
Num. H-bond donors : 0.0
Molar Refractivity : 43.12
TPSA : 52.08 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.71 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.04
Log Po/w (XLOGP3) : 1.32
Log Po/w (WLOGP) : 2.82
Log Po/w (MLOGP) : 1.36
Log Po/w (SILICOS-IT) : 2.11
Consensus Log Po/w : 1.93

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.07
Solubility : 1.88 mg/ml ; 0.00854 mol/l
Class : Soluble
Log S (Ali) : -2.01
Solubility : 2.13 mg/ml ; 0.00967 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.03
Solubility : 0.206 mg/ml ; 0.000938 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.02

Safety of [ 1192155-06-8 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P264-P270-P301+P312-P330 UN#:N/A
Hazard Statements:H302-H315-H320-H335 Packing Group:N/A
GHS Pictogram:
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