PROPAMOCARB HYDROCHLORIDE

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Molecule Category Salt-form
UNII V39TC0925S
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 MKIMSXGUTQTKJU-UHFFFAOYSA-N
Smiles Cl.CCCOC(=O)NCCCN(C)C
InChI
InChI=1S/C9H20N2O2.ClH/c1-4-8-13-9(12)10-6-5-7-11(2)3;/h4-8H2,1-3H3,(H,10,12);1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H21ClN2O2
Molecular Weight 224.73
AlogP 1.09
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 41.57
Molecular species BASE
Aromatic Rings 0.0
Heavy Atoms 13.0

Cross References

Resources Reference
ChEMBL CHEMBL1886212
FDA SRS V39TC0925S
CONTENTS