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

P-617724457

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-617724457.sdf
SMILES P-617724457.smiles
Standard InChI P-617724457.inchi
InChIKey P-617724457.txt
Property Value
Components 2
Mass 419.860
logP 3.1707
H-bond acceptors 9
H-bond donors 1
Rotatable bonds 5
PSA 106.95
RO5 violations 0
RO3 violations 5
Refractivity 117.3259
Atoms 51
Rings 4
Heavy atoms 29
Hydrogen atoms 22
Heteroatoms 10
N/O atoms 9
Inorganic atoms 0
Halogen atoms 1
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