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[ CAS No. 24434-84-2 ] {[proInfo.proName]}

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Chemical Structure| 24434-84-2
Chemical Structure| 24434-84-2
Structure of 24434-84-2 * Storage: {[proInfo.prStorage]}

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Product Details of [ 24434-84-2 ]

CAS No. :24434-84-2 MDL No. :MFCD08276872
Formula : C9H5NS Boiling Point : -
Linear Structure Formula :- InChI Key :WBXHAYDGMCONLX-UHFFFAOYSA-N
M.W : 159.21 Pubchem ID :11435093
Synonyms :

Calculated chemistry of [ 24434-84-2 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 9
Fraction Csp3 : 0.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 1.0
Num. H-bond donors : 0.0
Molar Refractivity : 46.54
TPSA : 52.03 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.28 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.02
Log Po/w (XLOGP3) : 2.81
Log Po/w (WLOGP) : 2.77
Log Po/w (MLOGP) : 1.81
Log Po/w (SILICOS-IT) : 3.63
Consensus Log Po/w : 2.61

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.2
Solubility : 0.0998 mg/ml ; 0.000627 mol/l
Class : Soluble
Log S (Ali) : -3.56
Solubility : 0.0439 mg/ml ; 0.000276 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.42
Solubility : 0.0611 mg/ml ; 0.000384 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.09

Safety of [ 24434-84-2 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319 Packing Group:N/A
GHS Pictogram:
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