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[ CAS No. 2288709-94-2 ] {[proInfo.proName]}

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3d Animation Molecule Structure of 2288709-94-2
Chemical Structure| 2288709-94-2
Chemical Structure| 2288709-94-2
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Product Details of [ 2288709-94-2 ]

CAS No. :2288709-94-2 MDL No. :MFCD31715186
Formula : C8H8FNO2S Boiling Point : -
Linear Structure Formula :- InChI Key :VFJJZRQMAUBGTN-UHFFFAOYSA-N
M.W : 201.22 Pubchem ID :134813664
Synonyms :

Calculated chemistry of [ 2288709-94-2 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 13
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.38
Num. rotatable bonds : 2
Num. H-bond acceptors : 4.0
Num. H-bond donors : 0.0
Molar Refractivity : 44.79
TPSA : 55.41 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.76 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.35
Log Po/w (XLOGP3) : 1.08
Log Po/w (WLOGP) : 2.59
Log Po/w (MLOGP) : 1.0
Log Po/w (SILICOS-IT) : 1.59
Consensus Log Po/w : 1.52

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.98
Solubility : 2.12 mg/ml ; 0.0105 mol/l
Class : Very soluble
Log S (Ali) : -1.84
Solubility : 2.94 mg/ml ; 0.0146 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -2.83
Solubility : 0.295 mg/ml ; 0.00147 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.31

Safety of [ 2288709-94-2 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302 Packing Group:N/A
GHS Pictogram:
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