Conditions for safe storage, including any incompatibilities: Keep container tightly closed in a dry and well-ventilated place. Recommended storage temperature: 2 - 8 °C.
Store at 20 °C-25 °C (68 °F-77 °F); excursions permitted to 15 °C-30 °C (59 °F-86 °F).
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.23
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
2
Molar refractivity
67.53
TPSA
109.57
LogP / Solubility
WLOGP
-0.33
MLOGP
-0.28
XLogP3
0.2
Consensus LogP
-0.14
Log S (ESOL)
-1.48
Class (ESOL)
Soluble
Log S (Ali)
-1.56
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.28
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
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)
-4.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2
Safety & Transport
Pictogram(s)
Health Hazard
Signal
Danger
GHS Hazard Statements
H360FD (75.7%): May damage fertility; May damage the unborn child [Danger Reproductive toxicity]
H361 (10.8%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]
H373 (81.1%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]