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[ CAS No. 162698-26-2 ] {[proInfo.proName]}

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Chemical Structure| 162698-26-2
Chemical Structure| 162698-26-2
Structure of 162698-26-2 * Storage: {[proInfo.prStorage]}

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Product Details of [ 162698-26-2 ]

CAS No. :162698-26-2 MDL No. :MFCD01861757
Formula : C5H10ClNO2 Boiling Point : -
Linear Structure Formula :- InChI Key :FKHBGZKNRAUKEF-UHFFFAOYSA-N
M.W : 151.59 Pubchem ID :22476057
Synonyms :

Calculated chemistry of [ 162698-26-2 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 9
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.8
Num. rotatable bonds : 2
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 39.0
TPSA : 38.33 ?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) : -6.82 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 0.57
Log Po/w (WLOGP) : -0.06
Log Po/w (MLOGP) : 0.0
Log Po/w (SILICOS-IT) : 0.36
Consensus Log Po/w : 0.18

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.01
Solubility : 14.9 mg/ml ; 0.0984 mol/l
Class : Very soluble
Log S (Ali) : -0.95
Solubility : 17.1 mg/ml ; 0.113 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.55
Solubility : 42.5 mg/ml ; 0.281 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.71

Safety of [ 162698-26-2 ]

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:
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