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Bismuth subsalicylate

Odors

No information available

Receptor Interaction

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

General Information

Common Name: Bismuth subsalicylate
IUPAC Name: null
Molecular Formula: C7H6BiO4
SMILES: C1=CC=C2C(=C1)C(=O)O[Bi]O2.O
Inchi: 1S/C7H6O3.Bi.H2O/c8-6-4-2-1-3-5(6)7(9)10;;/h1-4,8H,(H,9,10);;1H2/q;+2;/p-2
Inchi Key: QBWLKDFBINPHFT-UHFFFAOYSA-L
Cas No: 14882-18-9

Functional Group

Drug Likeness

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

Cross References

PubChem: 16682734
OdoRactor: View
TGSC: View

Physicochemical properties

Name Value
Molecular Weight (g/mol) 363.10
Mass (g/mol) 363.007
Molar Refractivity 35.53
Net Charge
HBD 1
HBA 4
Rt Bonds 0
Rings
TPSA 44.76
Hetero Atoms
Heavy Atoms 12
Aromatic Heavy Atoms 6
Melting Point (°C)
Boiling Point (°C@760.00mm Hg)
Vapor Pressure (mmHg@25.00 °C)
Vapor Density (Air =1)
Fraction Csp3 0.00
LogP
iLOGP 0.00
XLOGP3 1.24
WLOGP 1.09
MLOGP -0.26
ESOL Log S -3.24
ESOL Solubility (mg/ml) 0.208
ESOL Solubility (mol/l) 0.001
ESOL Class: esol_class Soluble
Ali Log S -1.78
Ali Solubility (mg/ml) 6.06
Ali Solubility (mol/l) 0.02
Ali Class Very soluble
Silicos-IT LogSw -2.72
Silicos-IT Solubility (mg/ml) 0.69
Silicos-IT Solubility (mol/l) 0
Silicos-IT Class Soluble

Pharmacokinetic profile

Name Value
GI Absorption High
BBB Permeable 1
PgP Substrate 0
Log Kp (cm/s) -7.63
Bioavailability Score 0.55
Caco2 1
Human Intestinal Absorption 1
Plasm Protein Binding 0.61
CYP1A2 Inhibitor 0
CYP2C19 Inhibitor 0
CYP2C9 Inhibitor 0
CYP2D6 inhibitor 0
CYP3A4 inhibitor 0
Ames mutagenesis 0
Acute Oral Toxicity 2.905
Carcinogenicity (Binary) 0
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