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[ CAS No. 1263377-74-7 ] {[proInfo.proName]}

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3d Animation Molecule Structure of 1263377-74-7
Chemical Structure| 1263377-74-7
Chemical Structure| 1263377-74-7
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Product Details of [ 1263377-74-7 ]

CAS No. :1263377-74-7 MDL No. :MFCD18379808
Formula : C7H2BrF5 Boiling Point : -
Linear Structure Formula :- InChI Key :SUHKWEINMZXPHI-UHFFFAOYSA-N
M.W : 260.99 Pubchem ID :51000133
Synonyms :

Calculated chemistry of [ 1263377-74-7 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 13
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.14
Num. rotatable bonds : 1
Num. H-bond acceptors : 5.0
Num. H-bond donors : 0.0
Molar Refractivity : 39.06
TPSA : 0.0 Ų

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) : -5.27 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.2
Log Po/w (XLOGP3) : 3.7
Log Po/w (WLOGP) : 5.74
Log Po/w (MLOGP) : 4.93
Log Po/w (SILICOS-IT) : 4.4
Consensus Log Po/w : 4.19

Druglikeness

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

Water Solubility

Log S (ESOL) : -4.06
Solubility : 0.0225 mg/ml ; 0.0000862 mol/l
Class : Moderately soluble
Log S (Ali) : -3.39
Solubility : 0.106 mg/ml ; 0.000407 mol/l
Class : Soluble
Log S (SILICOS-IT) : -4.7
Solubility : 0.00524 mg/ml ; 0.0000201 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.71

Safety of [ 1263377-74-7 ]

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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