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Talc

Odors

No information available

Receptor Interaction

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

General Information

Common Name: Talc
IUPAC Name: trimagnesium;dioxido(oxo)silane;hydroxy-oxido-oxosilane
Molecular Formula: H2Mg3O12Si4
SMILES: O[Si](=O)[O-].O[Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[Mg+2].[Mg+2].[Mg+2]
Inchi: 1S/3Mg.2HO3Si.2O3Si/c;;;4*1-4(2)3/h;;;2*1H;;/q3*+2;2*-1;2*-2
Inchi Key: KNXVOGGZOFOROK-UHFFFAOYSA-N
Cas No: 14807-96-6

Functional Group

Drug Likeness

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

Cross References

PubChem: 26924
OdoRactor: View
TGSC: View

Physicochemical properties

Name Value
Molecular Weight (g/mol) 379.27
Mass (g/mol) 377.817
Molar Refractivity 34.32
Net Charge
HBD
HBA 0
Rt Bonds 0
Rings
TPSA 247.10
Hetero Atoms
Heavy Atoms 19
Aromatic Heavy Atoms 0
Melting Point (°C)
Boiling Point (°C@760.00mm Hg)
Vapor Pressure (mmHg@25.00 °C)
Vapor Density (Air =1)
Fraction Csp3 0.67
LogP
iLOGP -20.31
XLOGP3 2.72
WLOGP 1.14
MLOGP 0.38
ESOL Log S -3.94
ESOL Solubility (mg/ml) 0.048
ESOL Solubility (mol/l) 0
ESOL Class: esol_class Soluble
Ali Log S -4.60
Ali Solubility (mg/ml) 0.01
Ali Solubility (mol/l) 0
Ali Class Moderately soluble
Silicos-IT LogSw -0.21
Silicos-IT Solubility (mg/ml) 259
Silicos-IT Solubility (mol/l) 0.62
Silicos-IT Class Soluble

Pharmacokinetic profile

Name Value
GI Absorption High
BBB Permeable 0
PgP Substrate 1
Log Kp (cm/s) -6.91
Bioavailability Score 0.55
Caco2 0
Human Intestinal Absorption 1
Plasm Protein Binding 0.102
CYP1A2 Inhibitor 0
CYP2C19 Inhibitor 0
CYP2C9 Inhibitor 0
CYP2D6 inhibitor 0
CYP3A4 inhibitor 0
Ames mutagenesis 0
Acute Oral Toxicity 3.065
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