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CAS 14323-36-5 Potassium tetracyanoplatinate(II) trihydrate molecular structure lightbox
CAS RN: 14323-36-5

Potassium tetracyanoplatinate(II) trihydrate

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14323-36-5 / dipotassium;platinum(2+);tetracyanide;tetrahydrate

Standard CAS: 14323-36-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
14323-36-5
Multi CAS
No
Molecular Formula
C4H8K2N4O4Pt
Molecular Weight
449.410000
Exact Mass
448.946762
SMILES
[C-]#N.[C-]#N.[C-]#N.[C-]#N.O.O.O.O.[K+].[K+].[Pt+2]
InChI
InChI=1S/4CN.2K.3H2O.Pt/c4*1-2;;;;;;/h;;;;;;3*1H2;/q4*-1;2*+1;;;;+2
InChIKey
JQTYQMMCROYLPI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
H-bond acceptors
4
H-bond donors
4
Molar refractivity
34.33
TPSA
221.16

LogP / Solubility

WLOGP
-8.91
MLOGP
-7.81
XLogP3
-8.91
Consensus LogP
-8.54
Log S (ESOL)
2.99
Class (ESOL)
Highly soluble
Log S (Ali)
3.19
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
4.81
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)
-11.79

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Acute Toxic Environmental Hazard
Signal
Danger
GHS Hazard Statements
H300 (90.5%): Fatal if swallowed [Danger Acute toxicity, oral] H310 (90.5%): Fatal in contact with skin [Danger Acute toxicity, dermal] H330 (90.5%): Fatal if inhaled [Danger Acute toxicity, inhalation] H400 (90.5%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410 (90.5%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P260, P262, P264, P270, P271, P273, P280, P284, P301+P316, P302+P352, P304+P340, P316, P320, P321, P330, P361+P364, P391, P403+P233, P405, and P501

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