CAS RN: 13453-78-6
Lithium perchlorate trihydrate
Product Availability
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3 package records2 with current stock1 grade group
- Product code: starshine_CAS13453-78-6
- Purity/Analytical Methods: >99.0%
13453-78-6 / lithium;perchlorate;trihydrate
Basic Information
CAS
13453-78-6
Multi CAS
No
Molecular Formula
ClH6LiO7
Molecular Weight
160.500000
Exact Mass
159.996209
SMILES
[Li+].O.O.O.[O-]Cl(=O)(=O)=O
InChI
InChI=1S/ClHO4.Li.3H2O/c2-1(3,4)5;;;;/h(H,2,3,4,5);;3*1H2/q;+1;;;/p-1
InChIKey
JAWYRNYHJJDXHX-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
9
H-bond acceptors
4
H-bond donors
3
Molar refractivity
10.84
TPSA
186.74
LogP / Solubility
WLOGP
-10.23
MLOGP
-9
XLogP3
-10.23
Consensus LogP
-9.82
Log S (ESOL)
5.61
Class (ESOL)
Highly soluble
Log S (Ali)
6.51
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
7.78
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)
-10.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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