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[ CAS No. 1214372-82-3 ] {[proInfo.proName]}

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3d Animation Molecule Structure of 1214372-82-3
Chemical Structure| 1214372-82-3
Chemical Structure| 1214372-82-3
Structure of 1214372-82-3 * Storage: {[proInfo.prStorage]}
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Product Details of [ 1214372-82-3 ]

CAS No. :1214372-82-3 MDL No. :MFCD14698605
Formula : C7H5F2I Boiling Point : -
Linear Structure Formula :- InChI Key :MLDZNKPELBMONG-UHFFFAOYSA-N
M.W : 254.02 Pubchem ID :46311737
Synonyms :

Calculated chemistry of [ 1214372-82-3 ]

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.14
Num. rotatable bonds : 1
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 44.23
TPSA : 0.0 Ų

Pharmacokinetics

GI absorption : Low
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) : -4.95 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.09
Log Po/w (XLOGP3) : 4.08
Log Po/w (WLOGP) : 3.74
Log Po/w (MLOGP) : 4.1
Log Po/w (SILICOS-IT) : 3.66
Consensus Log Po/w : 3.53

Druglikeness

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

Water Solubility

Log S (ESOL) : -4.36
Solubility : 0.011 mg/ml ; 0.0000433 mol/l
Class : Moderately soluble
Log S (Ali) : -3.79
Solubility : 0.0417 mg/ml ; 0.000164 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.96
Solubility : 0.0279 mg/ml ; 0.00011 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.78

Safety of [ 1214372-82-3 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302 Packing Group:N/A
GHS Pictogram:
Same Skeleton Products
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