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

P-502705556

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-502705556.sdf
SMILES P-502705556.smiles
Standard InChI P-502705556.inchi
InChIKey P-502705556.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-502705556 Innovapharm Screening Compounds 90 in stock
Property Value
Components 1
Mass 453.959
logP 4.9071
H-bond acceptors 6
H-bond donors 3
Rotatable bonds 6
PSA 89.45
RO5 violations 0
RO3 violations 5
Refractivity 130.413
Atoms 60
Rings 4
Heavy atoms 32
Hydrogen atoms 28
Heteroatoms 7
N/O atoms 6
Inorganic atoms 0
Halogen atoms 1
Chiral centers 1
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 1
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
loader