OCTINOXATE

Search structure
Synonyms:
Status: Approved (1992)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: D02BA02
UNII: 4Y5P7MUD51

Structure
InChI Key YBGZDTIWKVFICR-JLHYYAGUSA-N
Smile CCCCC(CC)COC(=O)/C=C/c1ccc(OC)cc1
InChI
InChI=1S/C18H26O3/c1-4-6-7-15(5-2)14-21-18(19)13-10-16-8-11-17(20-3)12-9-16/h8-13,15H,4-7,14H2,1-3H3/b13-10+

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H26O3
Molecular Weight 290.4
AlogP 4.47
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 9.0
Polar Surface Area 35.53
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 21.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Cross References

Resources Reference
ChEBI 134750
ChEMBL CHEMBL3183184
DrugCentral 4236
EPA CompTox DTXSID1025302
FDA SRS 4Y5P7MUD51
PubChem 5355130
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