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[ CAS No. 1152527-60-0 ] {[proInfo.proName]}

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3d Animation Molecule Structure of 1152527-60-0
Chemical Structure| 1152527-60-0
Chemical Structure| 1152527-60-0
Structure of 1152527-60-0 * Storage: {[proInfo.prStorage]}
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Product Details of [ 1152527-60-0 ]

CAS No. :1152527-60-0 MDL No. :MFCD10693485
Formula : C11H14N2O Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 190.24 Pubchem ID :-
Synonyms :

Calculated chemistry of [ 1152527-60-0 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 14
Num. arom. heavy atoms : 9
Fraction Csp3 : 0.36
Num. rotatable bonds : 1
Num. H-bond acceptors : 2.0
Num. H-bond donors : 1.0
Molar Refractivity : 57.68
TPSA : 52.05 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) : -5.48 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.23
Log Po/w (XLOGP3) : 2.79
Log Po/w (WLOGP) : 2.72
Log Po/w (MLOGP) : 1.62
Log Po/w (SILICOS-IT) : 2.27
Consensus Log Po/w : 2.32

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.19
Solubility : 0.124 mg/ml ; 0.00065 mol/l
Class : Soluble
Log S (Ali) : -3.54
Solubility : 0.0549 mg/ml ; 0.000289 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.77
Solubility : 0.0325 mg/ml ; 0.000171 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.75

Safety of [ 1152527-60-0 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P260-P271-P280 UN#:N/A
Hazard Statements:H315-H319-H335 Packing Group:N/A
GHS Pictogram:
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