Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key CDGZMJQGBQRSFY-YPKPFQOOSA-N
Smiles O=C(N(CC(C)C)CC(C)C)CCCCCCCC=CCCCCCCCC
InChI
InChI=1/C26H51NO/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26(28)27(22-24(2)3)23-25(4)5/h13-14,24-25H,6-12,15-23H2,1-5H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H51NO
Molecular Weight 393.4
AlogP 8.16
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 19.0
Polar Surface Area 20.31
Heavy Atoms 28.0

Cross References

Resources Reference
CAS NUMBER 37595-59-8
NORMAN SUSDAT
PubChem 6432882