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

P-885547546

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-885547546.sdf
SMILES P-885547546.smiles
Standard InChI P-885547546.inchi
InChIKey P-885547546.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-885547546 Princeton Biomolecular Research Building Blocks Synthesis 95 by synthesis
Property Value
Components 3
Mass 578.363
logP 7.8878
H-bond acceptors 10
H-bond donors 6
Rotatable bonds 13
PSA 177.58
RO5 violations 3
RO3 violations 6
Refractivity 157.357
Atoms 68
Rings 2
Heavy atoms 36
Hydrogen atoms 32
Heteroatoms 14
N/O atoms 10
Inorganic atoms 0
Halogen atoms 4
Chiral centers 0
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 0
Stereo double bonds 4
Cis/trans stereo double bonds 4
Unknown stereo double bonds 0
Undefined stereo double bonds 0
loader