MONOCROTALINE N-OXIDE

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Keyword(s): Drinking Water Chemicals ; Natural Toxins
Molecule Category Free-form

Structure

InChI Key LHVAZUAALQTANZ-ANYXPJNNSA-N
Smiles C[C@H]1C(=O)O[C@@H]2CCN3(=O)CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23
InChI
InChI=1S/C16H23NO7/c1-9-13(18)24-11-5-7-17(22)6-4-10(12(11)17)8-23-14(19)16(3,21)15(9,2)20/h4,9,11-12,20-21H,5-8H2,1-3H3/t9-,11+,12+,15+,16-,17?/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H23NO7
Molecular Weight 341.15
AlogP -0.38
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Polar Surface Area 116.12
Heavy Atoms 24.0

Cross References

Resources Reference
NORMAN SUSDAT
PubChem 21586627
ChemSpider 10202244.0
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