Liquid
Light green solid, insoluble in water; [Merck Index]
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
13
H-bond acceptors
8
Molar refractivity
15.21
TPSA
172.5
LogP / Solubility
WLOGP
-5.66
MLOGP
-4.96
XLogP3
-5.66
Consensus LogP
-5.43
Log S (ESOL)
1.45
Class (ESOL)
Highly soluble
Log S (Ali)
1.52
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.66
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)
-8.97
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Health Hazard
Environmental Hazard
Irritant
Signal
Danger
GHS Hazard Statements
H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
H334: May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]
H350i: May cause cancer by inhalation [Danger Carcinogenicity]
H372 **: Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure]
H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]