salicylidene salicylhydrazide   

GtoPdb Ligand ID: 5465

Synonyms: salicylaldehyde salicyloylhydrazone | salicylic salicylidenehydrazide | salicylidene-N'-salicylhydrazide
Compound class: Synthetic organic
2D Structure
Click here for structure editor
Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 4
Topological polar surface area 78.43
Molecular weight 256.08
XLogP 3.1
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES O=C1C=CC=CC1=CNNC(=O)c1ccccc1O
Isomeric SMILES O=C1C=CC=C/C/1=C/NNC(=O)c1ccccc1O
InChI InChI=1S/C14H12N2O3/c17-12-7-3-1-5-10(12)9-15-16-14(19)11-6-2-4-8-13(11)18/h1-9,15,18H,(H,16,19)/b10-9-
InChI Key NCCJLHWEUIAECU-KTKRTIGZSA-N
Classification
Compound class Synthetic organic
IUPAC Name
2-hydroxy-N'-[(Z)-(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]benzohydrazide
Synonyms
salicylaldehyde salicyloylhydrazone | salicylic salicylidenehydrazide | salicylidene-N'-salicylhydrazide
Database Links
CAS Registry No. 3232-36-8
GtoPdb PubChem SID 178102115
PubChem CID 5371104
Search Google for chemical match using the InChIKey NCCJLHWEUIAECU-KTKRTIGZSA-N
Search Google for chemicals with the same backbone NCCJLHWEUIAECU
Search UniChem for chemical match using the InChIKey NCCJLHWEUIAECU-KTKRTIGZSA-N
Search UniChem for chemicals with the same backbone NCCJLHWEUIAECU