PALUSTRIDINE (N5-FORMYLPALUSTRINE)

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Keyword(s): Natural Toxins
Molecule Category Free-form

Structure

InChI Key LAEWGEHSKCMNRG-IKGGRYGDSA-N
Smiles O[C@H]([C@H]1N2[C@H](C=CC1)CC(=O)NCCCCN(CCC2)C=O)CC
InChI
InChI=1S/C18H31N3O3/c1-2-17(23)16-8-5-7-15-13-18(24)19-9-3-4-10-20(14-22)11-6-12-21(15)16/h5,7,14-17,23H,2-4,6,8-13H2,1H3,(H,19,24)/t15-,16+,17+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H31N3O3
Molecular Weight 337.24
AlogP 1.75
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 76.37
Heavy Atoms 24.0

Cross References

Resources Reference
NORMAN SUSDAT
PubChem 139595854
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