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Sodium ferrocyanide

Odors

No information available

Receptor Interaction

No receptors available
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2D Structure
3D Conformer
image of chemical
 

General Information

Common Name: Sodium ferrocyanide
IUPAC Name: tetrasodium;iron(2+);hexacyanide
Molecular Formula: Na4Fe(CN)6
SMILES: [C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Na+].[Na+].[Na+].[Na+].[Fe+2]
Inchi: 1S/6CN.Fe.4Na/c6*1-2;;;;;/q6*-1;+2;4*+1
Inchi Key: GTSHREYGKSITGK-UHFFFAOYSA-N
Cas No: 13601-19-9

Functional Group

Drug Likeness

Name Value
Lipinski Violations 0
Ghose Violations 2
Veber Violations 1
Egan Violations 1
Muegge Violations 0

Cross References

PubChem: 26129
OdoRactor: View
TGSC: View

Physicochemical properties

Name Value
Molecular Weight (g/mol) 303.91
Mass (g/mol) 303.912
Molar Refractivity 29.81
Net Charge
HBD
HBA 6
Rt Bonds 0
Rings
TPSA 142.74
Hetero Atoms
Heavy Atoms 17
Aromatic Heavy Atoms 0
Melting Point (°C)
Boiling Point (°C@760.00mm Hg) 25.7
Vapor Pressure (mmHg@25.00 °C) 740
Vapor Density (Air =1)
Fraction Csp3 0.00
LogP
iLOGP 0.00
XLOGP3 0.40
WLOGP 0.58
MLOGP -3.38
ESOL Log S -1.98
ESOL Solubility (mg/ml) 3.21
ESOL Solubility (mol/l) 0.011
ESOL Class: esol_class Very soluble
Ali Log S -2.96
Ali Solubility (mg/ml) 0.33
Ali Solubility (mol/l) 0
Ali Class Soluble
Silicos-IT LogSw 0.36
Silicos-IT Solubility (mg/ml) 695
Silicos-IT Solubility (mol/l) 2.29
Silicos-IT Class Soluble

Pharmacokinetic profile

Name Value
GI Absorption Low
BBB Permeable 0
PgP Substrate 0
Log Kp (cm/s) -7.87
Bioavailability Score 0.55
Caco2 1
Human Intestinal Absorption 1
Plasm Protein Binding 0.049
CYP1A2 Inhibitor 0
CYP2C19 Inhibitor 0
CYP2C9 Inhibitor 0
CYP2D6 inhibitor 0
CYP3A4 inhibitor 1
Ames mutagenesis 0
Acute Oral Toxicity 2.758
Carcinogenicity (Binary) 1
Carcinogenicity (Trinary) Non-required
Eye Irritation 1
Hepatotoxicity 0
Androgen Receptor Binding 0
Aromatase Binding 0
Estrogen Receptor Binding 0
Glucocorticoid Receptor Binding 0
Thyroid Receptor Binding 0
BRCP inhibitor 0
BSEP inhibitor 0
OATP1B1 inhibitor 1
OATP1B3 inhibitor 1
OATP2B1 inhibitor 0
OCT1 inhibitor 0
OCT2 inhibitor 0