2-(Chloromethylene)-1,3-benzodioxepin-7-carboxylic acid; (E)-form, Amide
AlkaPlorer ID: AK008204
Synonym: 2-(Chloromethylene)-1,3-benzodioxepin-7-carboxamide, Calocerin C
IUPAC Name: 2-(chloromethylidene)-1,3-benzodioxepine-7-carboxamide
Structure
SMILES: NC(=O)C1=CC=C2OC(=CCl)OC=CC2=C1
InChI: InChI=1S/C11H8ClNO3/c12-6-10-15-4-3-7-5-8(11(13)14)1-2-9(7)16-10/h1-6H,(H2,13,14)
InChIKey: SBGGYNNFSVGKKF-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Favolaschia calocera | Favolaschia | Mycenaceae | Agaricales | Agaricomycetes | Basidiomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 237.642
TPSA？: 61.55000000000001
MolLogP？: 2.2029
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|