Pellets or Large Crystals
Solid; [Hawley] Black odorless powder; Insoluble in water
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
2
Fraction Csp3
1
Molar refractivity
6.73
TPSA
0.0000
LogP / Solubility
WLOGP
0.63
MLOGP
0.54
XLogP3
0.63
Consensus LogP
0.6
Log S (ESOL)
-0.65
Class (ESOL)
Very soluble
Log S (Ali)
-0.57
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.62
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (80.9%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (80.9%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H332 (80.9%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Not Classified
Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.