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[ CAS No. 473923-56-7 ] {[proInfo.proName]}

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Chemical Structure| 473923-56-7
Chemical Structure| 473923-56-7
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Product Details of [ 473923-56-7 ]

CAS No. :473923-56-7 MDL No. :MFCD04038649
Formula : C10H19NO4 Boiling Point : No data available
Linear Structure Formula :- InChI Key :-
M.W : 217.26 Pubchem ID :-
Synonyms :

Calculated chemistry of [ 473923-56-7 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 15
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.9
Num. rotatable bonds : 4
Num. H-bond acceptors : 4.0
Num. H-bond donors : 1.0
Molar Refractivity : 58.84
TPSA : 59.0 ?2

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) : -7.54 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.49
Log Po/w (XLOGP3) : 0.12
Log Po/w (WLOGP) : 0.23
Log Po/w (MLOGP) : 0.03
Log Po/w (SILICOS-IT) : 0.33
Consensus Log Po/w : 0.64

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.0
Solubility : 21.8 mg/ml ; 0.1 mol/l
Class : Very soluble
Log S (Ali) : -0.91
Solubility : 26.4 mg/ml ; 0.122 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.57
Solubility : 58.2 mg/ml ; 0.268 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.09

Safety of [ 473923-56-7 ]

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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