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[ CAS No. 14062-24-9 ] {[proInfo.proName]}

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Chemical Structure| 14062-24-9
Chemical Structure| 14062-24-9
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Product Details of [ 14062-24-9 ]

CAS No. :14062-24-9 MDL No. :MFCD00018791
Formula : C10H11ClO2 Boiling Point : -
Linear Structure Formula :ClC6H4CH2COOC2H5 InChI Key :UTWBWFXECVFDPZ-UHFFFAOYSA-N
M.W : 198.65 Pubchem ID :84177
Synonyms :

Calculated chemistry of [ 14062-24-9 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 13
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.3
Num. rotatable bonds : 4
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 52.12
TPSA : 26.3 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) : -5.45 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.31
Log Po/w (XLOGP3) : 2.91
Log Po/w (WLOGP) : 2.45
Log Po/w (MLOGP) : 2.84
Log Po/w (SILICOS-IT) : 3.03
Consensus Log Po/w : 2.71

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.98
Solubility : 0.207 mg/ml ; 0.00104 mol/l
Class : Soluble
Log S (Ali) : -3.12
Solubility : 0.15 mg/ml ; 0.000753 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.9
Solubility : 0.0248 mg/ml ; 0.000125 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.64

Safety of [ 14062-24-9 ]

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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