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[ CAS No. 672323-32-9 ] {[proInfo.proName]}

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3d Animation Molecule Structure of 672323-32-9
Chemical Structure| 672323-32-9
Chemical Structure| 672323-32-9
Structure of 672323-32-9 * Storage: {[proInfo.prStorage]}
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Product Details of [ 672323-32-9 ]

CAS No. :672323-32-9 MDL No. :MFCD09953598
Formula : C6H5N3O2 Boiling Point : -
Linear Structure Formula :- InChI Key :WLKWWISJQDPNNJ-UHFFFAOYSA-N
M.W : 151.12 Pubchem ID :135787026
Synonyms :

Calculated chemistry of [ 672323-32-9 ]

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 5
Fraction Csp3 : 0.17
Num. rotatable bonds : 0
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 39.04
TPSA : 63.99 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) : -7.56 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.47
Log Po/w (XLOGP3) : -0.47
Log Po/w (WLOGP) : -0.71
Log Po/w (MLOGP) : -0.13
Log Po/w (SILICOS-IT) : -0.14
Consensus Log Po/w : -0.19

Druglikeness

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

Water Solubility

Log S (ESOL) : -0.82
Solubility : 23.0 mg/ml ; 0.152 mol/l
Class : Very soluble
Log S (Ali) : -0.41
Solubility : 59.2 mg/ml ; 0.391 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -1.05
Solubility : 13.4 mg/ml ; 0.0889 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.96

Safety of [ 672323-32-9 ]

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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