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[ CAS No. 89284-26-4 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 89284-26-4
Chemical Structure| 89284-26-4
Structure of 89284-26-4 * Storage: {[proInfo.prStorage]}
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Product Details of [ 89284-26-4 ]

CAS No. :89284-26-4 MDL No. :MFCD10697759
Formula : C5H4ClN3O Boiling Point : -
Linear Structure Formula :- InChI Key :IJWURQKYEYQSQL-UHFFFAOYSA-N
M.W : 157.56 Pubchem ID :55263321
Synonyms :

Calculated chemistry of [ 89284-26-4 ]

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 36.83
TPSA : 68.87 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) : -6.74 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.43
Log Po/w (XLOGP3) : 0.74
Log Po/w (WLOGP) : 0.53
Log Po/w (MLOGP) : -1.01
Log Po/w (SILICOS-IT) : 1.01
Consensus Log Po/w : 0.34

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.66
Solubility : 3.44 mg/ml ; 0.0218 mol/l
Class : Very soluble
Log S (Ali) : -1.77
Solubility : 2.7 mg/ml ; 0.0172 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -1.84
Solubility : 2.25 mg/ml ; 0.0143 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.93

Safety of [ 89284-26-4 ]

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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