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

UNKNOWN STEREO

P-580195024

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-580195024.sdf
SMILES P-580195024.smiles
Standard InChI P-580195024.inchi
InChIKey P-580195024.txt
Property Value
Components 2
Mass 450.979
logP 4.2355
H-bond acceptors 6
H-bond donors 0
Rotatable bonds 7
PSA 84.38
RO5 violations 0
RO3 violations 5
Refractivity 124.358
Atoms 57
Rings 3
Heavy atoms 30
Hydrogen atoms 27
Heteroatoms 8
N/O atoms 6
Inorganic atoms 0
Halogen atoms 1
Chiral centers 2
R/S chiral centers 2
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