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[ CAS No. 26293-93-6 ] {[proInfo.proName]}

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3d Animation Molecule Structure of 26293-93-6
Chemical Structure| 26293-93-6
Chemical Structure| 26293-93-6
Structure of 26293-93-6 * Storage: {[proInfo.prStorage]}
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Product Details of [ 26293-93-6 ]

CAS No. :26293-93-6 MDL No. :MFCD16988336
Formula : C5HCl2N3 Boiling Point : -
Linear Structure Formula :- InChI Key :HLAOENZTDMPYNY-UHFFFAOYSA-N
M.W : 173.99 Pubchem ID :52987898
Synonyms :

Calculated chemistry of [ 26293-93-6 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 3.0
Num. H-bond donors : 0.0
Molar Refractivity : 36.77
TPSA : 49.57 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.81 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.47
Log Po/w (XLOGP3) : 2.18
Log Po/w (WLOGP) : 1.66
Log Po/w (MLOGP) : 0.19
Log Po/w (SILICOS-IT) : 2.19
Consensus Log Po/w : 1.54

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.74
Solubility : 0.319 mg/ml ; 0.00184 mol/l
Class : Soluble
Log S (Ali) : -2.85
Solubility : 0.243 mg/ml ; 0.0014 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.97
Solubility : 0.188 mg/ml ; 0.00108 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.0

Safety of [ 26293-93-6 ]

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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