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[ CAS No. 149330-25-6 ] {[proInfo.proName]}

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3d Animation Molecule Structure of 149330-25-6
Chemical Structure| 149330-25-6
Chemical Structure| 149330-25-6
Structure of 149330-25-6 * Storage: {[proInfo.prStorage]}
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Product Details of [ 149330-25-6 ]

CAS No. :149330-25-6 MDL No. :MFCD08703311
Formula : C11H18N2O2 Boiling Point : -
Linear Structure Formula :- InChI Key :FGYCMSFOZIRDLN-UHFFFAOYSA-N
M.W : 210.27 Pubchem ID :10130524
Synonyms :

Calculated chemistry of [ 149330-25-6 ]

Physicochemical Properties

Num. heavy atoms : 15
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.45
Num. rotatable bonds : 6
Num. H-bond acceptors : 2.0
Num. H-bond donors : 4.0
Molar Refractivity : 61.96
TPSA : 64.52 Ų

Pharmacokinetics

GI absorption : High
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) : -6.95 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.74
Log Po/w (XLOGP3) : 0.89
Log Po/w (WLOGP) : 0.42
Log Po/w (MLOGP) : 0.66
Log Po/w (SILICOS-IT) : 1.17
Consensus Log Po/w : 0.98

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.6
Solubility : 5.23 mg/ml ; 0.0249 mol/l
Class : Very soluble
Log S (Ali) : -1.83
Solubility : 3.11 mg/ml ; 0.0148 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -3.36
Solubility : 0.0909 mg/ml ; 0.000433 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.8

Safety of [ 149330-25-6 ]

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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