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[ CAS No. 1159826-67-1 ] {[proInfo.proName]}

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Chemical Structure| 1159826-67-1
Chemical Structure| 1159826-67-1
Structure of 1159826-67-1 * Storage: {[proInfo.prStorage]}
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Product Details of [ 1159826-67-1 ]

CAS No. :1159826-67-1 MDL No. :MFCD11101360
Formula : C11H23ClN2O2 Boiling Point : -
Linear Structure Formula :- InChI Key :BIBCIACSFRCABS-UHFFFAOYSA-N
M.W : 250.77 Pubchem ID :45072176
Synonyms :

Calculated chemistry of [ 1159826-67-1 ]

Physicochemical Properties

Num. heavy atoms : 16
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.91
Num. rotatable bonds : 5
Num. H-bond acceptors : 3.0
Num. H-bond donors : 2.0
Molar Refractivity : 71.07
TPSA : 50.36 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.37 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 2.05
Log Po/w (WLOGP) : 1.93
Log Po/w (MLOGP) : 1.44
Log Po/w (SILICOS-IT) : 1.2
Consensus Log Po/w : 1.32

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.36
Solubility : 1.1 mg/ml ; 0.0044 mol/l
Class : Soluble
Log S (Ali) : -2.74
Solubility : 0.46 mg/ml ; 0.00184 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.45
Solubility : 0.886 mg/ml ; 0.00353 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 2.79

Safety of [ 1159826-67-1 ]

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:
Same Skeleton Products
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