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Muscovite

Odors

No information available

Receptor Interaction

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

General Information

Common Name: Muscovite
IUPAC Name: dipotassium;dioxosilane;oxo(oxoalumanyloxy)alumane;oxygen(2-)
Molecular Formula: KAl2[AlSi3O10](OH)2
SMILES: [O-2].O=[Al]O[Al]=O.O=[Si]=O.[K+].[K+]
Inchi: 1S/2Al.2K.O2Si.4O/c;;;;1-3-2;;;;/q;;2*+1;;;;;-2
Inchi Key: YGANSGVIUGARFR-UHFFFAOYSA-N
Cas No: 1318-94-1

Functional Group

Drug Likeness

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

Cross References

PubChem: 92027383
OdoRactor: View

Physicochemical properties

Name Value
Molecular Weight (g/mol) 256.24
Mass (g/mol) 255.837
Molar Refractivity 10.27
Net Charge
HBD 1
HBA 4
Rt Bonds 2
Rings
TPSA 77.51
Hetero Atoms
Heavy Atoms 11
Aromatic Heavy Atoms 0
Melting Point (°C) 1500
Boiling Point (°C@760.00mm Hg)
Vapor Pressure (mmHg@25.00 °C)
Vapor Density (Air =1)
Fraction Csp3 0.45
LogP
iLOGP 3.36
XLOGP3 2.88
WLOGP 2.47
MLOGP 2.23
ESOL Log S -3.71
ESOL Solubility (mg/ml) 0.063
ESOL Solubility (mol/l) 0
ESOL Class: esol_class Soluble
Ali Log S -3.50
Ali Solubility (mg/ml) 0.1
Ali Solubility (mol/l) 0
Ali Class Soluble
Silicos-IT LogSw -4.31
Silicos-IT Solubility (mg/ml) 0.02
Silicos-IT Solubility (mol/l) 0
Silicos-IT Class Moderately soluble

Pharmacokinetic profile

Name Value
GI Absorption High
BBB Permeable 1
PgP Substrate 0
Log Kp (cm/s) -6.23
Bioavailability Score 0.55
Caco2 0
Human Intestinal Absorption 1
Plasm Protein Binding 0.225
CYP1A2 Inhibitor 0
CYP2C19 Inhibitor 0
CYP2C9 Inhibitor 0
CYP2D6 inhibitor 1
CYP3A4 inhibitor 0
Ames mutagenesis 0
Acute Oral Toxicity 3.787
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