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[ CAS No. 934107-80-9 ] {[proInfo.proName]}

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Chemical Structure| 934107-80-9
Chemical Structure| 934107-80-9
Structure of 934107-80-9 * Storage: {[proInfo.prStorage]}
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Product Details of [ 934107-80-9 ]

CAS No. :934107-80-9 MDL No. :MFCD06805749
Formula : C6H14N2O2S Boiling Point : -
Linear Structure Formula :- InChI Key :POTVOTFGDLUIQC-UHFFFAOYSA-N
M.W : 178.25 Pubchem ID :19623288
Synonyms :

Calculated chemistry of [ 934107-80-9 ]

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 4.0
Num. H-bond donors : 1.0
Molar Refractivity : 47.32
TPSA : 71.78 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) : -8.01 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.32
Log Po/w (XLOGP3) : -0.87
Log Po/w (WLOGP) : 0.07
Log Po/w (MLOGP) : -0.96
Log Po/w (SILICOS-IT) : -0.92
Consensus Log Po/w : -0.27

Druglikeness

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

Water Solubility

Log S (ESOL) : -0.33
Solubility : 83.2 mg/ml ; 0.467 mol/l
Class : Very soluble
Log S (Ali) : -0.16
Solubility : 125.0 mg/ml ; 0.699 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.33
Solubility : 84.1 mg/ml ; 0.472 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.49

Safety of [ 934107-80-9 ]

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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