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[ CAS No. 914348-76-8 ] {[proInfo.proName]}

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Chemical Structure| 914348-76-8
Chemical Structure| 914348-76-8
Structure of 914348-76-8 * Storage: {[proInfo.prStorage]}

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Product Details of [ 914348-76-8 ]

CAS No. :914348-76-8 MDL No. :MFCD05864655
Formula : C5H5ClN2O2S Boiling Point : -
Linear Structure Formula :- InChI Key :DSKPRYNHCJJKAE-UHFFFAOYSA-N
M.W : 192.62 Pubchem ID :40428513
Synonyms :

Calculated chemistry of [ 914348-76-8 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 5
Fraction Csp3 : 0.2
Num. rotatable bonds : 2
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 42.81
TPSA : 93.45 ?2

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) : -6.23 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.68
Log Po/w (XLOGP3) : 1.75
Log Po/w (WLOGP) : 1.17
Log Po/w (MLOGP) : 0.11
Log Po/w (SILICOS-IT) : 1.92
Consensus Log Po/w : 1.33

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.34
Solubility : 0.878 mg/ml ; 0.00456 mol/l
Class : Soluble
Log S (Ali) : -3.33
Solubility : 0.0902 mg/ml ; 0.000468 mol/l
Class : Soluble
Log S (SILICOS-IT) : -1.63
Solubility : 4.51 mg/ml ; 0.0234 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.67

Safety of [ 914348-76-8 ]

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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