N-TERT-BUTYL-N'-(4-CHLOROBENZOYL)-3-METHYLBENZOHYDRAZIDE

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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 JMBCOKCIMDYSCW-UHFFFAOYSA-N
Smiles Cc1cccc(c1)C(=O)N(NC(=O)c2ccc(Cl)cc2)C(C)(C)C
InChI
InChI=1S/C19H21ClN2O2/c1-13-6-5-7-15(12-13)18(24)22(19(2,3)4)21-17(23)14-8-10-16(20)11-9-14/h5-12H,1-4H3,(H,21,23)

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H21ClN2O2
Molecular Weight 344.84
AlogP 4.16
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 49.41
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 24.0

Cross References

Resources Reference
ChEMBL CHEMBL2228857
PubChem 1275958
SureChEMBL SCHEMBL9714518
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