Colorless, crystalline (sand-like) solid or white granule
White crystals
Crystals or white granules
State
Solid
Storage Conditions
General storage may be used. ... Store in tightly closed containers in a cool, well-ventilated area away from potassium chloride and sodium nitrate.
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
6
Molar refractivity
37.33
TPSA
185.06
LogP / Solubility
WLOGP
-1.8
MLOGP
-1.58
XLogP3
-1.8
Consensus LogP
-1.73
Log S (ESOL)
0.35
Class (ESOL)
Highly soluble
Log S (Ali)
0.23
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.28
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)
-5.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Safety & Transport
GHS Hazard Statements
Not Classified
Reported as not meeting GHS hazard criteria by 128 of 131 companies (only 2.3% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.