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[ CAS No. 83141-10-0 ] {[proInfo.proName]}

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Chemical Structure| 83141-10-0
Chemical Structure| 83141-10-0
Structure of 83141-10-0 * Storage: {[proInfo.prStorage]}

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Product Details of [ 83141-10-0 ]

CAS No. :83141-10-0 MDL No. :MFCD00119291
Formula : C7H3F2NO4 Boiling Point : -
Linear Structure Formula :- InChI Key :PDDHSNODMFIIRV-UHFFFAOYSA-N
M.W : 203.10 Pubchem ID :302629
Synonyms :

Calculated chemistry of [ 83141-10-0 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 14
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 2
Num. H-bond acceptors : 6.0
Num. H-bond donors : 1.0
Molar Refractivity : 42.14
TPSA : 83.12 ?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) : -6.49 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.34
Log Po/w (XLOGP3) : 1.48
Log Po/w (WLOGP) : 2.41
Log Po/w (MLOGP) : 1.38
Log Po/w (SILICOS-IT) : -0.02
Consensus Log Po/w : 1.12

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.22
Solubility : 1.23 mg/ml ; 0.00607 mol/l
Class : Soluble
Log S (Ali) : -2.83
Solubility : 0.299 mg/ml ; 0.00147 mol/l
Class : Soluble
Log S (SILICOS-IT) : -1.72
Solubility : 3.91 mg/ml ; 0.0192 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.82

Safety of [ 83141-10-0 ]

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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