Loading ...
Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »


Product Show structure
In order to add this molecule to a collection you have to create an account.   Sign up for free
  1. InChIKey:
  2. SMILES:
  3. Formula:
  1. Get quote for multiple compounds
  2. Get custom quote

Name File
SDF P-855369457.sdf
SMILES P-855369457.smiles
Standard InChI P-855369457.inchi
InChIKey P-855369457.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-855369457 Toronto Research In stock 90 in stock
Property Value
Components 2
Mass 296.319
logP 0.6928
H-bond acceptors 7
H-bond donors 3
Rotatable bonds 4
PSA 110.96
RO5 violations 0
RO3 violations 3
Refractivity 79.1754
Atoms 41
Rings 2
Heavy atoms 21
Hydrogen atoms 20
Heteroatoms 7
N/O atoms 7
Inorganic atoms 0
Halogen atoms 0
Chiral centers 2
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 2
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0