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

P-503913772

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-503913772.sdf
SMILES P-503913772.smiles
Standard InChI P-503913772.inchi
InChIKey P-503913772.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-503913772 Innovapharm Virtual Screening Compounds 90 by synthesis
Property Value
Components 1
Mass 399.444
logP 3.6422
H-bond acceptors 6
H-bond donors 1
Rotatable bonds 5
PSA 141.3
RO5 violations 0
RO3 violations 5
Refractivity 109.7098
Atoms 40
Rings 3
Heavy atoms 27
Hydrogen atoms 13
Heteroatoms 8
N/O atoms 6
Inorganic atoms 0
Halogen atoms 0
Chiral centers 0
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 0
Stereo double bonds 1
Cis/trans stereo double bonds 0
Unknown stereo double bonds 1
Undefined stereo double bonds 0
loader