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-885540646.sdf
SMILES P-885540646.smiles
Standard InChI P-885540646.inchi
InChIKey P-885540646.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-885540646 Princeton Biomolecular Research Building Blocks Synthesis 95 by synthesis
Property Value
Components 2
Mass 372.482
logP -0.1451
H-bond acceptors 6
H-bond donors 1
Rotatable bonds 5
PSA 114.84
RO5 violations 0
RO3 violations 4
Refractivity 87.9142
Atoms 41
Rings 3
Heavy atoms 24
Hydrogen atoms 17
Heteroatoms 8
N/O atoms 6
Inorganic atoms 1
Halogen atoms 0
Chiral centers 3
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 3
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0