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[ CAS No. 1260769-87-6 ] {[proInfo.proName]}

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3d Animation Molecule Structure of 1260769-87-6
Chemical Structure| 1260769-87-6
Chemical Structure| 1260769-87-6
Structure of 1260769-87-6 * Storage: {[proInfo.prStorage]}
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Product Details of [ 1260769-87-6 ]

CAS No. :1260769-87-6 MDL No. :MFCD13193481
Formula : C8H11N3 Boiling Point : -
Linear Structure Formula :- InChI Key :WYOWXFIDFQAYRB-UHFFFAOYSA-N
M.W : 149.19 Pubchem ID :71748486
Synonyms :

Calculated chemistry of [ 1260769-87-6 ]

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.38
Num. rotatable bonds : 0
Num. H-bond acceptors : 1.0
Num. H-bond donors : 2.0
Molar Refractivity : 51.57
TPSA : 36.95 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) : -6.27 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.46
Log Po/w (XLOGP3) : 1.33
Log Po/w (WLOGP) : 0.08
Log Po/w (MLOGP) : 0.61
Log Po/w (SILICOS-IT) : 1.49
Consensus Log Po/w : 1.0

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.01
Solubility : 1.47 mg/ml ; 0.00985 mol/l
Class : Soluble
Log S (Ali) : -1.71
Solubility : 2.93 mg/ml ; 0.0196 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -3.05
Solubility : 0.134 mg/ml ; 0.000897 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.18

Safety of [ 1260769-87-6 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P305+P351+P338 UN#:N/A
Hazard Statements:H319 Packing Group:N/A
GHS Pictogram:
Same Skeleton Products
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[ 1260769-87-6 ]

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