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[ CAS No. 14338-32-0 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 14338-32-0
Chemical Structure| 14338-32-0
Structure of 14338-32-0 * Storage: {[proInfo.prStorage]}

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Product Details of [ 14338-32-0 ]

CAS No. :14338-32-0 MDL No. :MFCD00011984
Formula : C6H7ClIN Boiling Point : -
Linear Structure Formula :- InChI Key :ABFPKTQEQNICFT-UHFFFAOYSA-M
M.W : 255.48 Pubchem ID :167069
Synonyms :

Calculated chemistry of [ 14338-32-0 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 9
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.17
Num. rotatable bonds : 0
Num. H-bond acceptors : 0.0
Num. H-bond donors : 0.0
Molar Refractivity : 49.06
TPSA : 3.88 ?2

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) : -5.87 cm/s

Lipophilicity

Log Po/w (iLOGP) : -1.52
Log Po/w (XLOGP3) : 2.8
Log Po/w (WLOGP) : -1.83
Log Po/w (MLOGP) : 2.06
Log Po/w (SILICOS-IT) : 1.68
Consensus Log Po/w : 0.64

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.68
Solubility : 0.0532 mg/ml ; 0.000208 mol/l
Class : Soluble
Log S (Ali) : -2.54
Solubility : 0.74 mg/ml ; 0.0029 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.17
Solubility : 1.74 mg/ml ; 0.00681 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 3.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 1.34

Safety of [ 14338-32-0 ]

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