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[ CAS No. 1211535-73-7 ] {[proInfo.proName]}

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Chemical Structure| 1211535-73-7
Chemical Structure| 1211535-73-7
Structure of 1211535-73-7 * Storage: {[proInfo.prStorage]}

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Product Details of [ 1211535-73-7 ]

CAS No. :1211535-73-7 MDL No. :MFCD18255514
Formula : C7H4N2O2S Boiling Point : -
Linear Structure Formula :- InChI Key :WPBMKFYRQHJLDB-UHFFFAOYSA-N
M.W : 180.18 Pubchem ID :68056931
Synonyms :

Calculated chemistry of [ 1211535-73-7 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 9
Fraction Csp3 : 0.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 4.0
Num. H-bond donors : 1.0
Molar Refractivity : 44.37
TPSA : 91.32 ?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) : -6.57 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.99
Log Po/w (XLOGP3) : 1.17
Log Po/w (WLOGP) : 1.39
Log Po/w (MLOGP) : -1.26
Log Po/w (SILICOS-IT) : 2.01
Consensus Log Po/w : 0.86

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : -2.18
Solubility : 1.18 mg/ml ; 0.00656 mol/l
Class : Soluble
Log S (Ali) : -2.68
Solubility : 0.374 mg/ml ; 0.00207 mol/l
Class : Soluble
Log S (SILICOS-IT) : -1.97
Solubility : 1.93 mg/ml ; 0.0107 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.03

Safety of [ 1211535-73-7 ]

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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