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[ CAS No. 25742-28-3 ] {[proInfo.proName]}

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3d Animation Molecule Structure of 25742-28-3
Chemical Structure| 25742-28-3
Chemical Structure| 25742-28-3
Structure of 25742-28-3 * Storage: {[proInfo.prStorage]}
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Product Details of [ 25742-28-3 ]

CAS No. :25742-28-3 MDL No. :MFCD16660533
Formula : C7H7ClN2O4S Boiling Point : -
Linear Structure Formula :- InChI Key :FSQBCNBFHWRUGG-UHFFFAOYSA-N
M.W : 250.66 Pubchem ID :240532
Synonyms :

Calculated chemistry of [ 25742-28-3 ]

Physicochemical Properties

Num. heavy atoms : 15
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.29
Num. rotatable bonds : 3
Num. H-bond acceptors : 6.0
Num. H-bond donors : 0.0
Molar Refractivity : 51.42
TPSA : 94.6 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) : -7.18 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.42
Log Po/w (XLOGP3) : 0.92
Log Po/w (WLOGP) : 1.4
Log Po/w (MLOGP) : -0.25
Log Po/w (SILICOS-IT) : 0.76
Consensus Log Po/w : 0.85

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.07
Solubility : 2.13 mg/ml ; 0.00848 mol/l
Class : Soluble
Log S (Ali) : -2.49
Solubility : 0.806 mg/ml ; 0.00322 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.66
Solubility : 0.545 mg/ml ; 0.00217 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 2.29

Safety of [ 25742-28-3 ]

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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