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[ CAS No. 1160248-16-7 ] {[proInfo.proName]}

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3d Animation Molecule Structure of 1160248-16-7
Chemical Structure| 1160248-16-7
Chemical Structure| 1160248-16-7
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Product Details of [ 1160248-16-7 ]

CAS No. :1160248-16-7 MDL No. :MFCD12198789
Formula : C12H17N3O4 Boiling Point : -
Linear Structure Formula :- InChI Key :ZBPUKXNTBSOWSZ-UHFFFAOYSA-N
M.W : 267.28 Pubchem ID :71305811
Synonyms :

Calculated chemistry of [ 1160248-16-7 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 19
Num. arom. heavy atoms : 5
Fraction Csp3 : 0.58
Num. rotatable bonds : 4
Num. H-bond acceptors : 5.0
Num. H-bond donors : 1.0
Molar Refractivity : 70.67
TPSA : 84.66 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) : -7.72 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.81
Log Po/w (XLOGP3) : 0.3
Log Po/w (WLOGP) : 0.8
Log Po/w (MLOGP) : 0.14
Log Po/w (SILICOS-IT) : -0.18
Consensus Log Po/w : 0.57

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.62
Solubility : 6.46 mg/ml ; 0.0242 mol/l
Class : Very soluble
Log S (Ali) : -1.64
Solubility : 6.12 mg/ml ; 0.0229 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.85
Solubility : 37.7 mg/ml ; 0.141 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 2.84

Safety of [ 1160248-16-7 ]

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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