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[ CAS No. 153034-83-4 ] {[proInfo.proName]}

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3d Animation Molecule Structure of 153034-83-4
Chemical Structure| 153034-83-4
Chemical Structure| 153034-83-4
Structure of 153034-83-4 * Storage: {[proInfo.prStorage]}
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Product Details of [ 153034-83-4 ]

CAS No. :153034-83-4 MDL No. :MFCD03095291
Formula : C5H2FI2N Boiling Point : -
Linear Structure Formula :- InChI Key :JPNTYYOJYPWUSU-UHFFFAOYSA-N
M.W : 348.88 Pubchem ID :10089142
Synonyms :

Calculated chemistry of [ 153034-83-4 ]

Physicochemical Properties

Num. heavy atoms : 9
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 49.63
TPSA : 12.89 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.59 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.93
Log Po/w (XLOGP3) : 2.59
Log Po/w (WLOGP) : 2.85
Log Po/w (MLOGP) : 2.75
Log Po/w (SILICOS-IT) : 3.78
Consensus Log Po/w : 2.78

Druglikeness

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

Water Solubility

Log S (ESOL) : -4.13
Solubility : 0.026 mg/ml ; 0.0000745 mol/l
Class : Moderately soluble
Log S (Ali) : -2.51
Solubility : 1.08 mg/ml ; 0.00309 mol/l
Class : Soluble
Log S (SILICOS-IT) : -4.17
Solubility : 0.0239 mg/ml ; 0.0000684 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 2.29

Safety of [ 153034-83-4 ]

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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