Liquid
60% Aqueous solution: Colorless liquid with a pungent odor
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
7
H-bond acceptors
6
H-bond donors
2
Molar refractivity
2.22
TPSA
0.0000
LogP / Solubility
WLOGP
-17.75
MLOGP
-15.63
XLogP3
-17.75
Consensus LogP
-17.04
Log S (ESOL)
10.33
Class (ESOL)
Highly soluble
Log S (Ali)
11.91
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
14.01
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)
-16.32
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
Signal
Danger
GHS Hazard Statements
H290 (93.6%): May be corrosive to metals [Warning Corrosive to Metals]
H301+H311+H331 (93.6%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
H301 (94%): Toxic if swallowed [Danger Acute toxicity, oral]
H311 (94.4%): Toxic in contact with skin [Danger Acute toxicity, dermal]
H314 (99.6%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]