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Potassium metaphosphate

Odors

No information available

Receptor Interaction

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

General Information

Common Name: Potassium metaphosphate
IUPAC Name: null
Molecular Formula: KO3P
SMILES: [O-]P(=O)=O.[K+]
Inchi: 1S/K.HO3P/c;1-4(2)3/h;(H,1,2,3)/q+1;/p-1
Inchi Key: OQZCJRJRGMMSGK-UHFFFAOYSA-M
Cas No: 7790-53-6

Functional Group

Drug Likeness

Name Value
Lipinski Violations 3
Ghose Violations 3
Veber Violations 1
Egan Violations 1
Muegge Violations 5

Cross References

PubChem: 16133895
OdoRactor: View

Physicochemical properties

Name Value
Molecular Weight (g/mol) 118.07
Mass (g/mol) 117.922
Molar Refractivity 8.98
Net Charge
HBD 6
HBA 12
Rt Bonds 0
Rings
TPSA 91.34
Hetero Atoms
Heavy Atoms 5
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 0.53
LogP
iLOGP 2.82
XLOGP3 -1.35
WLOGP 2.06
MLOGP 1.05
ESOL Log S -3.32
ESOL Solubility (mg/ml) 0.317
ESOL Solubility (mol/l) 0
ESOL Class: esol_class Soluble
Ali Log S -2.12
Ali Solubility (mg/ml) 5.12
Ali Solubility (mol/l) 0.01
Ali Class Soluble
Silicos-IT LogSw -2.07
Silicos-IT Solubility (mg/ml) 5.73
Silicos-IT Solubility (mol/l) 0.01
Silicos-IT Class Soluble

Pharmacokinetic profile

Name Value
GI Absorption Low
BBB Permeable 0
PgP Substrate 1
Log Kp (cm/s) -11.34
Bioavailability Score 0.17
Caco2 0
Human Intestinal Absorption 1
Plasm Protein Binding 0.342
CYP1A2 Inhibitor 0
CYP2C19 Inhibitor 0
CYP2C9 Inhibitor 0
CYP2D6 inhibitor 0
CYP3A4 inhibitor 0
Ames mutagenesis 0
Acute Oral Toxicity 2.335
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