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

P-580452212

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-580452212.sdf
SMILES P-580452212.smiles
Standard InChI P-580452212.inchi
InChIKey P-580452212.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-580452212 CliniSciences S.A.S All products 98 in stock
Property Value
Components 3
Mass 684.814
logP 1.8856
H-bond acceptors 14
H-bond donors 8
Rotatable bonds 21
PSA 216.5
RO5 violations 3
RO3 violations 5
Refractivity 180.4042
Atoms 104
Rings 2
Heavy atoms 48
Hydrogen atoms 56
Heteroatoms 14
N/O atoms 14
Inorganic atoms 0
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
loader