MITOQUINONE CATION

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UKNOWN
UNII: 47BYS17IY0

Structure
InChI Key OIIMUKXVVLRCAF-UHFFFAOYSA-N
Smile COC1=C(OC)C(=O)C(CCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)=C(C)C1=O
InChI
InChI=1S/C37H44O4P/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/q+1

Physicochemical Descriptors

Property Name Value
Molecular Formula C37H44O4P+
Molecular Weight 583.73
AlogP 7.46
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 16.0
Polar Surface Area 52.6
Molecular species None
Aromatic Rings 3.0
Heavy Atoms 42.0

Cross References

Resources Reference
ChEMBL CHEMBL1229093
FDA SRS 47BYS17IY0
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