CONESSIDINE

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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 CHMBCKMSXBNZSX-QLPKIABKSA-N
Smiles CN[C@H]1CC[C@]2(C)[C@H]3CC[C@]45C=N[C@@H](C)[C@H]4CC[C@H]5[C@@H]3CC=C2C1
InChI
InChI=1S/C22H34N2/c1-14-18-6-7-20-17-5-4-15-12-16(23-3)8-10-21(15,2)19(17)9-11-22(18,20)13-24-14/h4,13-14,16-20,23H,5-12H2,1-3H3/t14-,16-,17+,18+,19-,20-,21-,22-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H34N2
Molecular Weight 326.52
AlogP 3.74
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 24.39
Molecular species BASE
Aromatic Rings 0.0
Heavy Atoms 24.0

Cross References

Resources Reference
ChEMBL CHEMBL2262847
PubChem 22214027
CONTENTS