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[ CAS No. 856843-84-0 ] {[proInfo.proName]}

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Chemical Structure| 856843-84-0
Chemical Structure| 856843-84-0
Structure of 856843-84-0 * Storage: {[proInfo.prStorage]}
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Product Details of [ 856843-84-0 ]

CAS No. :856843-84-0 MDL No. :MFCD03540891
Formula : C11H17ClN2O2S Boiling Point : -
Linear Structure Formula :- InChI Key :IMLDHDNEYHSNDL-UHFFFAOYSA-N
M.W : 276.78 Pubchem ID :46743459
Synonyms :

Calculated chemistry of [ 856843-84-0 ]

Physicochemical Properties

Num. heavy atoms : 17
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.45
Num. rotatable bonds : 2
Num. H-bond acceptors : 4.0
Num. H-bond donors : 1.0
Molar Refractivity : 77.3
TPSA : 57.79 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.87 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 1.58
Log Po/w (WLOGP) : 1.71
Log Po/w (MLOGP) : 0.92
Log Po/w (SILICOS-IT) : 0.88
Consensus Log Po/w : 1.02

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.68
Solubility : 0.577 mg/ml ; 0.00209 mol/l
Class : Soluble
Log S (Ali) : -2.4
Solubility : 1.09 mg/ml ; 0.00394 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.21
Solubility : 0.169 mg/ml ; 0.000612 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 2.41

Safety of [ 856843-84-0 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501 UN#:
Hazard Statements:H315-H319-H335 Packing Group:
GHS Pictogram:
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