White to yellowish-white solid; [Merck Index] White or yellow odorless powder
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
4
H-bond acceptors
3
H-bond donors
3
Molar refractivity
11.56
TPSA
90
LogP / Solubility
WLOGP
-0.91
MLOGP
-0.79
XLogP3
-0.91
Consensus LogP
-0.87
Log S (ESOL)
-0.88
Class (ESOL)
Very soluble
Log S (Ali)
-1.03
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.59
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-4.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1
Safety & Transport
GHS Hazard Statements
Not Classified
Reported as not meeting GHS hazard criteria by 115 of 121 companies (only 5% companies provided GHS information). For more detailed information, please visit ECHA C&L website.