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

UNKNOWN STEREO

P-492244046

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-492244046.sdf
SMILES P-492244046.smiles
Standard InChI P-492244046.inchi
InChIKey P-492244046.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-492244046 Innovapharm Building Blocks 95 in stock
Property Value
Components 2
Mass 461.512
logP 2.54458
H-bond acceptors 9
H-bond donors 2
Rotatable bonds 4
PSA 134.35
RO5 violations 0
RO3 violations 4
Refractivity 132.2457
Atoms 61
Rings 4
Heavy atoms 34
Hydrogen atoms 27
Heteroatoms 9
N/O atoms 9
Inorganic atoms 0
Halogen atoms 0
Chiral centers 1
R/S chiral centers 1
Unknown chiral centers 0
Undefined chiral centers 0
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
loader