(-)-7-EPI-DEOXYNUPHARIDINE

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Synonyms
Molecule Category Free-form
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key VACYOTYBTLYIEB-UXOAXIEHSA-N
Smiles C[C@@H]1CC[C@H]2[C@H](C)CC[C@H](N2C1)c3cocc3
InChI
InChI=1S/C15H23NO/c1-11-3-5-14-12(2)4-6-15(16(14)9-11)13-7-8-17-10-13/h7-8,10-12,14-15H,3-6,9H2,1-2H3/t11-,12-,14+,15+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H23NO
Molecular Weight 233.35
AlogP 3.54
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 16.38
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 17.0

Cross References

Resources Reference
ChEMBL CHEMBL140239
PubChem 10537609
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