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[ CAS No. 273206-92-1 ] {[proInfo.proName]}

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Chemical Structure| 273206-92-1
Chemical Structure| 273206-92-1
Structure of 273206-92-1 * Storage: {[proInfo.prStorage]}
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Product Details of [ 273206-92-1 ]

CAS No. :273206-92-1 MDL No. :MFCD15111971
Formula : C10H18N2O2 Boiling Point : -
Linear Structure Formula :- InChI Key :UWWZMHWHRBGMIT-DHBOJHSNSA-N
M.W : 198.26 Pubchem ID :28820283
Synonyms :

Calculated chemistry of [ 273206-92-1 ]

Physicochemical Properties

Num. heavy atoms : 14
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.9
Num. rotatable bonds : 3
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 57.19
TPSA : 55.56 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) : -7.3 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.37
Log Po/w (XLOGP3) : 0.3
Log Po/w (WLOGP) : 0.43
Log Po/w (MLOGP) : 0.86
Log Po/w (SILICOS-IT) : -0.09
Consensus Log Po/w : 0.77

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.06
Solubility : 17.3 mg/ml ; 0.0871 mol/l
Class : Very soluble
Log S (Ali) : -1.03
Solubility : 18.5 mg/ml ; 0.0935 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.45
Solubility : 70.2 mg/ml ; 0.354 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.05

Safety of [ 273206-92-1 ]

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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