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[ CAS No. 69320-90-7 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 69320-90-7
Chemical Structure| 69320-90-7
Structure of 69320-90-7 * Storage: {[proInfo.prStorage]}
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Product Details of [ 69320-90-7 ]

CAS No. :69320-90-7 MDL No. :MFCD00672361
Formula : C8H18ClNO3 Boiling Point : -
Linear Structure Formula :- InChI Key :OWBFRQWDQDYNNF-IBTYICNHSA-N
M.W : 211.69 Pubchem ID :44629865
Synonyms :

Calculated chemistry of [ 69320-90-7 ]

Physicochemical Properties

Num. heavy atoms : 13
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.88
Num. rotatable bonds : 4
Num. H-bond acceptors : 4.0
Num. H-bond donors : 2.0
Molar Refractivity : 52.73
TPSA : 72.55 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) : -7.04 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 0.78
Log Po/w (WLOGP) : 0.84
Log Po/w (MLOGP) : 0.55
Log Po/w (SILICOS-IT) : -0.03
Consensus Log Po/w : 0.43

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.38
Solubility : 8.83 mg/ml ; 0.0417 mol/l
Class : Very soluble
Log S (Ali) : -1.88
Solubility : 2.76 mg/ml ; 0.0131 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.33
Solubility : 99.7 mg/ml ; 0.471 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.64

Safety of [ 69320-90-7 ]

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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