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CAS 16925-26-1 Disodium hexafluorozirconate molecular structure lightbox
CAS RN: 16925-26-1

Disodium hexafluorozirconate

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  • Product code: starshine_CAS16925-26-1
  • Purity/Analytical Methods: >99.0%
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16925-26-1 / disodium;zirconium(4+);hexafluoride

Standard CAS: 16925-26-1 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
16925-26-1
Multi CAS
No
Molecular Formula
F6Na2Zr
Molecular Weight
251.190000
Exact Mass
249.874656
SMILES
[F-].[F-].[F-].[F-].[F-].[F-].[Na+].[Na+].[Zr+4]
InChI
InChI=1S/6FH.2Na.Zr/h6*1H;;;/q;;;;;;2*+1;+4/p-6
InChIKey
KSYURTCLCUKLSF-UHFFFAOYSA-H

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
9
H-bond acceptors
6
TPSA
0.0000

LogP / Solubility

WLOGP
-23.97
MLOGP
-21.09
XLogP3
-23.97
Consensus LogP
-23.01
Log S (ESOL)
13.7
Class (ESOL)
Highly soluble
Log S (Ali)
15.69
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
18.6
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)
-21.27

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501

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