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Succinoyl peroxide

Odors

No information available

Receptor Interaction

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

General Information

Common Name: Succinoyl peroxide
IUPAC Name: 4-(3-carboxypropanoylperoxy)-4-oxobutanoic acid
Molecular Formula: C8H10O8
SMILES: C(CC(=O)OOC(=O)CCC(=O)O)C(=O)O
Inchi: 1S/C8H10O8/c9-5(10)1-3-7(13)15-16-8(14)4-2-6(11)12/h1-4H2,(H,9,10)(H,11,12)
Inchi Key: MKTOIPPVFPJEQO-UHFFFAOYSA-N
Cas No: 123-23-9

Functional Group

Drug Likeness

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

Cross References

PubChem: 31248
Zinc: ZINC1596409
OdoRactor: View

Physicochemical properties

Name Value
Molecular Weight (g/mol) 234.16
Mass (g/mol) 234.038
Molar Refractivity 46.68
Net Charge
HBD 2
HBA 8
Rt Bonds 9
Rings
TPSA 127.20
Hetero Atoms 8
Heavy Atoms 16
Aromatic Heavy Atoms 0
Melting Point (°C) 127
Boiling Point (°C@760.00mm Hg)
Vapor Pressure (mmHg@25.00 °C)
Vapor Density (Air =1)
Fraction Csp3 0.50
LogP -0.283
iLOGP 0.52
XLOGP3 -0.94
WLOGP -0.28
MLOGP -0.05
ESOL Log S -0.11
ESOL Solubility (mg/ml) 184
ESOL Solubility (mol/l) 0.784
ESOL Class: esol_class Very soluble
Ali Log S -1.25
Ali Solubility (mg/ml) 13.3
Ali Solubility (mol/l) 0.06
Ali Class Very soluble
Silicos-IT LogSw 0.37
Silicos-IT Solubility (mg/ml) 545
Silicos-IT Solubility (mol/l) 2.33
Silicos-IT Class Soluble

Pharmacokinetic profile

Name Value
GI Absorption High
BBB Permeable 0
PgP Substrate 0
Log Kp (cm/s) -8.40
Bioavailability Score 0.56
Caco2 0
Human Intestinal Absorption 1
Plasm Protein Binding 0.377
CYP1A2 Inhibitor 0
CYP2C19 Inhibitor 0
CYP2C9 Inhibitor 0
CYP2D6 inhibitor 0
CYP3A4 inhibitor 0
Ames mutagenesis 0
Acute Oral Toxicity 1.389
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