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[ CAS No. 143381-72-0 ] {[proInfo.proName]}

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Chemical Structure| 143381-72-0
Chemical Structure| 143381-72-0
Structure of 143381-72-0 * Storage: {[proInfo.prStorage]}
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Product Details of [ 143381-72-0 ]

CAS No. :143381-72-0 MDL No. :MFCD28101768
Formula : C9H9BO3 Boiling Point : -
Linear Structure Formula :- InChI Key :FPEHWPXLYXXAFZ-UHFFFAOYSA-N
M.W : 175.98 Pubchem ID :15680843
Synonyms :

Calculated chemistry of [ 143381-72-0 ]

Physicochemical Properties

Num. heavy atoms : 13
Num. arom. heavy atoms : 9
Fraction Csp3 : 0.11
Num. rotatable bonds : 1
Num. H-bond acceptors : 3.0
Num. H-bond donors : 2.0
Molar Refractivity : 51.01
TPSA : 53.6 Ų

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) : -6.22 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 1.63
Log Po/w (WLOGP) : 0.42
Log Po/w (MLOGP) : 0.08
Log Po/w (SILICOS-IT) : 0.22
Consensus Log Po/w : 0.47

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.4
Solubility : 0.694 mg/ml ; 0.00394 mol/l
Class : Soluble
Log S (Ali) : -2.37
Solubility : 0.754 mg/ml ; 0.00428 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.56
Solubility : 0.482 mg/ml ; 0.00274 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.72

Safety of [ 143381-72-0 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H315-H319-H335 Packing Group:N/A
GHS Pictogram:
Same Skeleton Products
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