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

P-502781769

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-502781769.sdf
SMILES P-502781769.smiles
Standard InChI P-502781769.inchi
InChIKey P-502781769.txt
Property Value
Components 1
Mass 443.446
logP 4.7272
H-bond acceptors 7
H-bond donors 1
Rotatable bonds 9
PSA 94.84
RO5 violations 0
RO3 violations 5
Refractivity 124.3322
Atoms 54
Rings 4
Heavy atoms 33
Hydrogen atoms 21
Heteroatoms 7
N/O atoms 7
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 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
loader