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[ CAS No. 920981-12-0 ] {[proInfo.proName]}

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3d Animation Molecule Structure of 920981-12-0
Chemical Structure| 920981-12-0
Chemical Structure| 920981-12-0
Structure of 920981-12-0 * Storage: {[proInfo.prStorage]}
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Product Details of [ 920981-12-0 ]

CAS No. :920981-12-0 MDL No. :MFCD09749662
Formula : C7H5F2IO Boiling Point : -
Linear Structure Formula :- InChI Key :BZOXAMCTTCQOTB-UHFFFAOYSA-N
M.W : 270.02 Pubchem ID :15945938
Synonyms :

Calculated chemistry of [ 920981-12-0 ]

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.14
Num. rotatable bonds : 2
Num. H-bond acceptors : 3.0
Num. H-bond donors : 0.0
Molar Refractivity : 45.75
TPSA : 9.23 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) : -5.31 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.08
Log Po/w (XLOGP3) : 3.72
Log Po/w (WLOGP) : 3.73
Log Po/w (MLOGP) : 3.03
Log Po/w (SILICOS-IT) : 3.2
Consensus Log Po/w : 3.15

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 : 0.02 mg/ml ; 0.0000742 mol/l
Class : Moderately soluble
Log S (Ali) : -3.61
Solubility : 0.067 mg/ml ; 0.000248 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.69
Solubility : 0.0545 mg/ml ; 0.000202 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.15

Safety of [ 920981-12-0 ]

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