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[ CAS No. 24078-18-0 ] {[proInfo.proName]}

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Chemical Structure| 24078-18-0
Chemical Structure| 24078-18-0
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Product Details of [ 24078-18-0 ]

CAS No. :24078-18-0 MDL No. :MFCD18208306
Formula : C10H9BrO Boiling Point : -
Linear Structure Formula :- InChI Key :QJSLUGAXLICGSK-UHFFFAOYSA-N
M.W : 225.08 Pubchem ID :69202009
Synonyms :

Calculated chemistry of [ 24078-18-0 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.3
Num. rotatable bonds : 0
Num. H-bond acceptors : 1.0
Num. H-bond donors : 0.0
Molar Refractivity : 52.15
TPSA : 17.07 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : Yes
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.74 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.24
Log Po/w (XLOGP3) : 2.72
Log Po/w (WLOGP) : 2.89
Log Po/w (MLOGP) : 2.71
Log Po/w (SILICOS-IT) : 3.88
Consensus Log Po/w : 2.89

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.32
Solubility : 0.108 mg/ml ; 0.00048 mol/l
Class : Soluble
Log S (Ali) : -2.73
Solubility : 0.417 mg/ml ; 0.00185 mol/l
Class : Soluble
Log S (SILICOS-IT) : -4.36
Solubility : 0.00976 mg/ml ; 0.0000434 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.89

Safety of [ 24078-18-0 ]

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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