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Sodium iodide

Odors

No information available

Receptor Interaction

No receptors available
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2D Structure
3D Conformer
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General Information

Common Name: Sodium iodide
IUPAC Name: sodium;iodide
Molecular Formula: NaI
SMILES: [Na+].[I-]
Inchi: 1S/HI.Na/h1H;/q;+1/p-1
Inchi Key: FVAUCKIRQBBSSJ-UHFFFAOYSA-M
Cas No: 7681-82-5

Functional Group

Drug Likeness

Name Value
Lipinski Violations 0
Ghose Violations 3
Veber Violations 0
Egan Violations 0
Muegge Violations 2

Cross References

PubChem: 5238
OdoRactor: View
TGSC: View

Physicochemical properties

Name Value
Molecular Weight (g/mol) 149.89
Mass (g/mol) 149.894
Molar Refractivity 14.02
Net Charge
HBD 1
HBA 3
Rt Bonds 0
Rings
TPSA 0.00
Hetero Atoms
Heavy Atoms 2
Aromatic Heavy Atoms 0
Melting Point (°C) 651
Boiling Point (°C@760.00mm Hg)
Vapor Pressure (mmHg@25.00 °C)
Vapor Density (Air =1)
Fraction Csp3 0.50
LogP
iLOGP 0.45
XLOGP3 0.17
WLOGP 0.46
MLOGP -0.22
ESOL Log S -0.36
ESOL Solubility (mg/ml) 33.7
ESOL Solubility (mol/l) 0.432
ESOL Class: esol_class Very soluble
Ali Log S -0.51
Ali Solubility (mg/ml) 24.1
Ali Solubility (mol/l) 0.31
Ali Class Very soluble
Silicos-IT LogSw 0.19
Silicos-IT Solubility (mg/ml) 120
Silicos-IT Solubility (mol/l) 1.53
Silicos-IT Class Soluble

Pharmacokinetic profile

Name Value
GI Absorption High
BBB Permeable 1
PgP Substrate 0
Log Kp (cm/s) -6.66
Bioavailability Score 0.85
Caco2 1
Human Intestinal Absorption 1
Plasm Protein Binding 0.035
CYP1A2 Inhibitor 0
CYP2C19 Inhibitor 0
CYP2C9 Inhibitor 0
CYP2D6 inhibitor 0
CYP3A4 inhibitor 0
Ames mutagenesis 0
Acute Oral Toxicity -0.277
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