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[ CAS No. 1185156-19-7 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 1185156-19-7
Chemical Structure| 1185156-19-7
Structure of 1185156-19-7 * Storage: {[proInfo.prStorage]}
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Product Details of [ 1185156-19-7 ]

CAS No. :1185156-19-7 MDL No. :MFCD06739050
Formula : C5H12ClNO2 Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 153.61 Pubchem ID :-
Synonyms :

Calculated chemistry of [ 1185156-19-7 ]

Physicochemical Properties

Num. heavy atoms : 9
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 35.88
TPSA : 44.48 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) : -7.5 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : -0.37
Log Po/w (WLOGP) : 0.16
Log Po/w (MLOGP) : -0.67
Log Po/w (SILICOS-IT) : 0.51
Consensus Log Po/w : -0.07

Druglikeness

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

Water Solubility

Log S (ESOL) : -0.49
Solubility : 49.3 mg/ml ; 0.321 mol/l
Class : Very soluble
Log S (Ali) : -0.1
Solubility : 122.0 mg/ml ; 0.792 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.23
Solubility : 90.0 mg/ml ; 0.586 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.61

Safety of [ 1185156-19-7 ]

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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