MITOQUINOL CATION

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 65M41NIO61

Structure
InChI Key SIRZPOBKMRMKDI-UHFFFAOYSA-O
Smile COc1c(O)c(C)c(CCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(O)c1OC
InChI
InChI=1S/C37H45O4P/c1-29-33(35(39)37(41-3)36(40-2)34(29)38)27-19-8-6-4-5-7-9-20-28-42(30-21-13-10-14-22-30,31-23-15-11-16-24-31)32-25-17-12-18-26-32/h10-18,21-26H,4-9,19-20,27-28H2,1-3H3,(H-,38,39)/p+1

Physicochemical Descriptors

Property Name Value
Molecular Formula C37H46O4P+
Molecular Weight 585.75
AlogP 8.08
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 16.0
Polar Surface Area 58.92
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 42.0

Cross References

Resources Reference
ChEMBL CHEMBL4594414
FDA SRS 65M41NIO61
PubChem 9917765
ZINC ZINC000059745851
CONTENTS