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[ CAS No. 934536-10-4 ] {[proInfo.proName]}

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Chemical Structure| 934536-10-4
Chemical Structure| 934536-10-4
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Product Details of [ 934536-10-4 ]

CAS No. :934536-10-4 MDL No. :MFCD10566556
Formula : C10H19FN2O2 Boiling Point : No data available
Linear Structure Formula :- InChI Key :ZQRYPCAUVKVMLZ-UHFFFAOYSA-N
M.W : 218.27 Pubchem ID :21948952
Synonyms :

Calculated chemistry of [ 934536-10-4 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 15
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.9
Num. rotatable bonds : 3
Num. H-bond acceptors : 4.0
Num. H-bond donors : 1.0
Molar Refractivity : 59.35
TPSA : 55.56 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) : -7.08 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.25
Log Po/w (XLOGP3) : 0.78
Log Po/w (WLOGP) : 1.33
Log Po/w (MLOGP) : 1.01
Log Po/w (SILICOS-IT) : 0.35
Consensus Log Po/w : 1.14

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.49
Solubility : 7.12 mg/ml ; 0.0326 mol/l
Class : Very soluble
Log S (Ali) : -1.53
Solubility : 6.48 mg/ml ; 0.0297 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.97
Solubility : 23.3 mg/ml ; 0.107 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.22

Safety of [ 934536-10-4 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P305+P351+P338 UN#:
Hazard Statements:H302-H315-H319-H335 Packing Group:
GHS Pictogram:
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