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[ CAS No. 1260849-23-7 ] {[proInfo.proName]}

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Chemical Structure| 1260849-23-7
Chemical Structure| 1260849-23-7
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Product Details of [ 1260849-23-7 ]

CAS No. :1260849-23-7 MDL No. :MFCD10566176
Formula : C10H10F2O3 Boiling Point : -
Linear Structure Formula :- InChI Key :PWYVDWXBWUDXKK-UHFFFAOYSA-N
M.W : 216.18 Pubchem ID :53419343
Synonyms :

Calculated chemistry of [ 1260849-23-7 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 15
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.3
Num. rotatable bonds : 4
Num. H-bond acceptors : 5.0
Num. H-bond donors : 0.0
Molar Refractivity : 48.94
TPSA : 35.53 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) : -5.98 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.47
Log Po/w (XLOGP3) : 2.31
Log Po/w (WLOGP) : 2.99
Log Po/w (MLOGP) : 2.77
Log Po/w (SILICOS-IT) : 2.94
Consensus Log Po/w : 2.69

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.67
Solubility : 0.465 mg/ml ; 0.00215 mol/l
Class : Soluble
Log S (Ali) : -2.69
Solubility : 0.437 mg/ml ; 0.00202 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.57
Solubility : 0.0579 mg/ml ; 0.000268 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.78

Safety of [ 1260849-23-7 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:
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