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[ CAS No. 67367-24-2 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 67367-24-2
Chemical Structure| 67367-24-2
Structure of 67367-24-2 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 67367-24-2 ]

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Product Details of [ 67367-24-2 ]

CAS No. :67367-24-2 MDL No. :MFCD04114270
Formula : C7H7NO3 Boiling Point : No data available
Linear Structure Formula :- InChI Key :IHBXKOZLARNEHF-UHFFFAOYSA-N
M.W : 153.14 Pubchem ID :2762945
Synonyms :

Calculated chemistry of [ 67367-24-2 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.14
Num. rotatable bonds : 2
Num. H-bond acceptors : 4.0
Num. H-bond donors : 1.0
Molar Refractivity : 37.54
TPSA : 59.42 ?2

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) : -6.6 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.58
Log Po/w (XLOGP3) : 0.9
Log Po/w (WLOGP) : 0.57
Log Po/w (MLOGP) : -0.26
Log Po/w (SILICOS-IT) : 0.71
Consensus Log Po/w : 0.7

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.63
Solubility : 3.61 mg/ml ; 0.0235 mol/l
Class : Very soluble
Log S (Ali) : -1.73
Solubility : 2.83 mg/ml ; 0.0185 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -1.51
Solubility : 4.73 mg/ml ; 0.0309 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.4

Safety of [ 67367-24-2 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P305+P351+P338 UN#:
Hazard Statements:H315-H319-H335 Packing Group:
GHS Pictogram:
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