MENTHOL LACTAM

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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 PUUQDDMRHVFUDQ-BDAKNGLRSA-N
Smiles CC(C)[C@@H]1CC[C@@H](C)CC(=O)N1
InChI
InChI=1S/C10H19NO/c1-7(2)9-5-4-8(3)6-10(12)11-9/h7-9H,4-6H2,1-3H3,(H,11,12)/t8-,9+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H19NO
Molecular Weight 169.26
AlogP 2.01
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 29.1
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 12.0

Cross References

Resources Reference
ChEMBL CHEMBL2234556
PubChem 12349329
SureChEMBL SCHEMBL7619521
ZINC ZINC03624435
CONTENTS