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[ CAS No. 1019108-05-4 ] {[proInfo.proName]}

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3d Animation Molecule Structure of 1019108-05-4
Chemical Structure| 1019108-05-4
Chemical Structure| 1019108-05-4
Structure of 1019108-05-4 * Storage: {[proInfo.prStorage]}
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Product Details of [ 1019108-05-4 ]

CAS No. :1019108-05-4 MDL No. :MFCD09863858
Formula : C7H5N3O2 Boiling Point : -
Linear Structure Formula :- InChI Key :NRVIZYWYHXROKA-UHFFFAOYSA-N
M.W : 163.13 Pubchem ID :21818978
Synonyms :

Calculated chemistry of [ 1019108-05-4 ]

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 9
Fraction Csp3 : 0.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 4.0
Num. H-bond donors : 2.0
Molar Refractivity : 40.85
TPSA : 78.87 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) : -6.86 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.33
Log Po/w (XLOGP3) : 0.61
Log Po/w (WLOGP) : 0.66
Log Po/w (MLOGP) : -1.28
Log Po/w (SILICOS-IT) : 0.89
Consensus Log Po/w : 0.24

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.72
Solubility : 3.07 mg/ml ; 0.0188 mol/l
Class : Very soluble
Log S (Ali) : -1.84
Solubility : 2.36 mg/ml ; 0.0144 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -1.9
Solubility : 2.04 mg/ml ; 0.0125 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.67

Safety of [ 1019108-05-4 ]

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:
Same Skeleton Products
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