Other Solid
Odorless solid; Deliquesces slightly in moist air; [Merck Index] Colorless odorless crystalline solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
12
H-bond acceptors
4
H-bond donors
5
Molar refractivity
35.13
TPSA
220.69
LogP / Solubility
WLOGP
-11.12
MLOGP
-9.78
XLogP3
-11.12
Consensus LogP
-10.67
Log S (ESOL)
5.63
Class (ESOL)
Highly soluble
Log S (Ali)
6.43
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
7.96
Class (SILICOS-IT)
Highly 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)
-12.13
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
GHS Hazard Statements
Not Classified
Reported as not meeting GHS hazard criteria by 277 of 281 companies (only 1.4% companies provided GHS information). For more detailed information, please visit ECHA C&L website.