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

P-588709991

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-588709991.sdf
SMILES P-588709991.smiles
Standard InChI P-588709991.inchi
InChIKey P-588709991.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-588709991 Key Organics Building Blocks 97 unavailable
Property Value
Components 3
Mass 382.486
logP 0.0342
H-bond acceptors 12
H-bond donors 6
Rotatable bonds 2
PSA 195.68
RO5 violations 2
RO3 violations 4
Refractivity 111.7458
Atoms 55
Rings 2
Heavy atoms 25
Hydrogen atoms 30
Heteroatoms 13
N/O atoms 12
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