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[ CAS No. 7211-54-3 ] {[proInfo.proName]}

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Chemical Structure| 7211-54-3
Chemical Structure| 7211-54-3
Structure of 7211-54-3 * Storage: {[proInfo.prStorage]}

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Product Details of [ 7211-54-3 ]

CAS No. :7211-54-3 MDL No. :MFCD00137453
Formula : C3H10ClNS Boiling Point : -
Linear Structure Formula :- InChI Key :GMEDUXHKSSWXSL-UHFFFAOYSA-N
M.W : 127.64 Pubchem ID :197870
Synonyms :

Calculated chemistry of [ 7211-54-3 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 6
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 2
Num. H-bond acceptors : 1.0
Num. H-bond donors : 1.0
Molar Refractivity : 34.14
TPSA : 64.82 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) : -6.56 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 0.73
Log Po/w (WLOGP) : 1.07
Log Po/w (MLOGP) : 0.75
Log Po/w (SILICOS-IT) : 0.15
Consensus Log Po/w : 0.54

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -0.96
Solubility : 14.0 mg/ml ; 0.11 mol/l
Class : Very soluble
Log S (Ali) : -1.67
Solubility : 2.73 mg/ml ; 0.0214 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.75
Solubility : 22.7 mg/ml ; 0.178 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.32

Safety of [ 7211-54-3 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H315-H319-H335 Packing Group:N/A
GHS Pictogram:
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