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[ CAS No. 1476792-06-9 ] {[proInfo.proName]}

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3d Animation Molecule Structure of 1476792-06-9
Chemical Structure| 1476792-06-9
Chemical Structure| 1476792-06-9
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Product Details of [ 1476792-06-9 ]

CAS No. :1476792-06-9 MDL No. :N/A
Formula : C8H12N2O2 Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 168.19 Pubchem ID :-
Synonyms :

Calculated chemistry of [ 1476792-06-9 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.5
Num. rotatable bonds : 1
Num. H-bond acceptors : 2.0
Num. H-bond donors : 1.0
Molar Refractivity : 47.16
TPSA : 54.86 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) : -7.08 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.64
Log Po/w (XLOGP3) : 0.35
Log Po/w (WLOGP) : 0.2
Log Po/w (MLOGP) : 0.27
Log Po/w (SILICOS-IT) : 1.47
Consensus Log Po/w : 0.79

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.41
Solubility : 6.58 mg/ml ; 0.0391 mol/l
Class : Very soluble
Log S (Ali) : -1.07
Solubility : 14.4 mg/ml ; 0.0858 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -1.84
Solubility : 2.4 mg/ml ; 0.0143 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.97

Safety of [ 1476792-06-9 ]

Signal Word:Warning Class:
Precautionary Statements:P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313 UN#:
Hazard Statements:H315-H319 Packing Group:
GHS Pictogram:
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