White hygroscopic solid; [Merck Index] White crystals with a pungent odor
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
1
Molar refractivity
43.05
TPSA
0.0000
LogP / Solubility
WLOGP
3.23
MLOGP
2.84
XLogP3
3.23
Consensus LogP
3.1
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.13
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.32
Class (SILICOS-IT)
Poorly 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)
-1.35
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Flammable
Corrosive
Irritant
Environmental Hazard
Signal
Danger
GHS Hazard Statements
H228 (57.6%): Flammable solid [Danger Flammable solids]
H314 (76.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
H318 (29.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
H335 (12.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
H411 (18.6%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]