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CAS 15336-18-2 Ammonium hexachlororhodate(III) molecular structure lightbox
CAS RN: 15336-18-2

Ammonium hexachlororhodate(III)

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  • Product code: starshine_CAS15336-18-2
  • Purity/Analytical Methods: >99.0%
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15336-18-2 / triazanium;hexachlororhodium(3-)

Standard CAS: 15336-18-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
15336-18-2
Multi CAS
No
Molecular Formula
Cl6H12N3Rh
Molecular Weight
369.700000
Exact Mass
368.818780
SMILES
[NH4+].[NH4+].[NH4+].Cl[Rh-3](Cl)(Cl)(Cl)(Cl)Cl
InChI
InChI=1S/6ClH.3H3N.Rh/h6*1H;3*1H3;/q;;;;;;;;;+3/p-3
InChIKey
OJNYBYILSUWBHM-UHFFFAOYSA-K

Computed Properties

Structural Parameters

Heavy atom count
10
H-bond acceptors
1
H-bond donors
3
Molar refractivity
53.07
TPSA
109.5

LogP / Solubility

WLOGP
5.26
MLOGP
4.65
XLogP3
5.26
Consensus LogP
5.06
Log S (ESOL)
-5.45
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.39
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.43
Class (SILICOS-IT)
Insoluble

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
Yes
Log Kp (skin permeation)
-1.24

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 Irritant
Signal
Danger
GHS Hazard Statements
H315 (40%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (60%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H319 (40%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P332+P317, P337+P317, and P362+P364

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