CPCCOEt

Ligand id: 1382

Name: CPCCOEt

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 68.12
Molecular weight 247.08
XLogP 1.86
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
ethyl 7-hydroxyimino-1,7a-dihydrocyclopropa[b]chromene-1a-carboxylate
Database Links
BindingDB Ligand 50089903
CAS Registry No. 179067-99-3 (source: Scifinder)
ChEMBL Ligand CHEMBL327783
GtoPdb PubChem SID 135650133
PubChem CID 6278000
Search Google for chemical match using the InChIKey FXCTZFMSAHZQTR-KAMYIIQDSA-N
Search Google for chemicals with the same backbone FXCTZFMSAHZQTR
Search UniChem for chemical match using the InChIKey FXCTZFMSAHZQTR-KAMYIIQDSA-N
Search UniChem for chemicals with the same backbone FXCTZFMSAHZQTR
Wikipedia CPCCOEt
Comments
Representations of the stereochemistry of CPCCOEt in the literature vary, with the majority of sources specifying a 'flat' structure (as our listed references do), while a few detail (-)CPCCOEt.