Water or Solvent Wet Solid
Orange-red or yellow solid; [Hawley] Slightly water soluble
Appearance
Red-orange cubic crystals
Orange-red crystals or yellow powder
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
9
H-bond acceptors
1
H-bond donors
2
Molar refractivity
47.09
TPSA
73
LogP / Solubility
WLOGP
4.89
MLOGP
4.33
XLogP3
4.89
Consensus LogP
4.7
Log S (ESOL)
-5.67
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.73
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.6
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Corrosive
Acute Toxic
Health Hazard
Irritant
Environmental Hazard
Signal
Danger
GHS Hazard Statements
H301: Toxic if swallowed [Danger Acute toxicity, oral]
H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]
H334: May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]
H290 (70.7%): May be corrosive to metals [Warning Corrosive to Metals]