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[ CAS No. 886371-10-4 ] {[proInfo.proName]}

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3d Animation Molecule Structure of 886371-10-4
Chemical Structure| 886371-10-4
Chemical Structure| 886371-10-4
Structure of 886371-10-4 * Storage: {[proInfo.prStorage]}
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Product Details of [ 886371-10-4 ]

CAS No. :886371-10-4 MDL No. :MFCD07375375
Formula : C8H10N2O2 Boiling Point : -
Linear Structure Formula :- InChI Key :ZUSQXUYFDCIZMX-UHFFFAOYSA-N
M.W : 166.18 Pubchem ID :55253330
Synonyms :

Calculated chemistry of [ 886371-10-4 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.25
Num. rotatable bonds : 2
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 44.89
TPSA : 65.21 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) : -6.41 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.58
Log Po/w (XLOGP3) : 1.27
Log Po/w (WLOGP) : 0.77
Log Po/w (MLOGP) : 0.48
Log Po/w (SILICOS-IT) : 0.93
Consensus Log Po/w : 1.01

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.91
Solubility : 2.05 mg/ml ; 0.0123 mol/l
Class : Very soluble
Log S (Ali) : -2.24
Solubility : 0.96 mg/ml ; 0.00577 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.12
Solubility : 1.25 mg/ml ; 0.00755 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.68

Safety of [ 886371-10-4 ]

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:
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