MRS2567

Ligand id: 1752

Name: MRS2567

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 88.9
Molecular weight 296.04
XLogP 8.63
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-isothiocyanato-4-[2-(4-isothiocyanatophenyl)ethyl]benzene
Database Links
PubChem CID 11266452
Search Google for chemical match using the InChIKey KGPFLJVFCCOOEO-UHFFFAOYSA-N
Search Google for chemicals with the same backbone KGPFLJVFCCOOEO
Search UniChem for chemical match using the InChIKey KGPFLJVFCCOOEO-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone KGPFLJVFCCOOEO