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[ CAS No. 1342433-96-8 ] {[proInfo.proName]}

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Chemical Structure| 1342433-96-8
Chemical Structure| 1342433-96-8
Structure of 1342433-96-8 * Storage: {[proInfo.prStorage]}
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Product Details of [ 1342433-96-8 ]

CAS No. :1342433-96-8 MDL No. :MFCD18326835
Formula : C11H20N2O2 Boiling Point : -
Linear Structure Formula :- InChI Key :HWISGVCRMIUTMA-UHFFFAOYSA-N
M.W :212.29 Pubchem ID :63302750
Synonyms :

Calculated chemistry of [ 1342433-96-8 ]

Physicochemical Properties

Num. heavy atoms : 15
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.91
Num. rotatable bonds : 5
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 62.09
TPSA : 41.57 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.83 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.97
Log Po/w (XLOGP3) : 1.08
Log Po/w (WLOGP) : 0.91
Log Po/w (MLOGP) : 1.15
Log Po/w (SILICOS-IT) : 0.78
Consensus Log Po/w : 1.38

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.51
Solubility : 6.61 mg/ml ; 0.0311 mol/l
Class : Very soluble
Log S (Ali) : -1.54
Solubility : 6.05 mg/ml ; 0.0285 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -1.37
Solubility : 8.97 mg/ml ; 0.0423 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.28

Safety of [ 1342433-96-8 ]

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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