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[ CAS No. 205692-63-3 ] {[proInfo.proName]}

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Chemical Structure| 205692-63-3
Chemical Structure| 205692-63-3
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Product Details of [ 205692-63-3 ]

CAS No. :205692-63-3 MDL No. :MFCD00216919
Formula : C6H8N2O6 Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 204.14 Pubchem ID :-
Synonyms :

Calculated chemistry of [ 205692-63-3 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 14
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 2
Num. H-bond acceptors : 8.0
Num. H-bond donors : 4.0
Molar Refractivity : 42.05
TPSA : 118.84 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) : -8.57 cm/s

Lipophilicity

Log Po/w (iLOGP) : -0.15
Log Po/w (XLOGP3) : -1.45
Log Po/w (WLOGP) : -0.26
Log Po/w (MLOGP) : -3.11
Log Po/w (SILICOS-IT) : -0.32
Consensus Log Po/w : -1.06

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : -0.38
Solubility : 85.6 mg/ml ; 0.419 mol/l
Class : Very soluble
Log S (Ali) : -0.54
Solubility : 58.6 mg/ml ; 0.287 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.39
Solubility : 82.6 mg/ml ; 0.405 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.88

Safety of [ 205692-63-3 ]

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