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[ CAS No. 1936476-62-8 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 1936476-62-8
Chemical Structure| 1936476-62-8
Chemical Structure| 1936476-62-8
Structure of 1936476-62-8 * Storage: {[proInfo.prStorage]}
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Product Details of [ 1936476-62-8 ]

CAS No. :1936476-62-8 MDL No. :MFCD28404726
Formula : C9H7N3O2 Boiling Point : -
Linear Structure Formula :- InChI Key :AHGKBXGLBSMGQH-UHFFFAOYSA-N
M.W : 189.17 Pubchem ID :92043005
Synonyms :

Calculated chemistry of [ 1936476-62-8 ]

Physicochemical Properties

Num. heavy atoms : 14
Num. arom. heavy atoms : 10
Fraction Csp3 : 0.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 54.97
TPSA : 84.73 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.57 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.94
Log Po/w (XLOGP3) : 1.25
Log Po/w (WLOGP) : 1.73
Log Po/w (MLOGP) : -0.17
Log Po/w (SILICOS-IT) : -0.49
Consensus Log Po/w : 0.65

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -2.26
Solubility : 1.03 mg/ml ; 0.00546 mol/l
Class : Soluble
Log S (Ali) : -2.63
Solubility : 0.446 mg/ml ; 0.00236 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.73
Solubility : 0.356 mg/ml ; 0.00188 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.94

Safety of [ 1936476-62-8 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P280-P301+P312-P302+P352-P305+P351+P338 UN#:
Hazard Statements:H302-H315-H319-H335 Packing Group:
GHS Pictogram:
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