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

P-12825716

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-12825716.sdf
SMILES P-12825716.smiles
Standard InChI P-12825716.inchi
InChIKey P-12825716.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-12825716 InterBioScreen Screening Compounds 92 unavailable
Property Value
Components 1
Mass 465.580
logP 5.289
H-bond acceptors 6
H-bond donors 1
Rotatable bonds 12
PSA 76.07
RO5 violations 1
RO3 violations 5
Refractivity 137.5043
Atoms 69
Rings 3
Heavy atoms 34
Hydrogen atoms 35
Heteroatoms 6
N/O atoms 6
Inorganic atoms 0
Halogen atoms 0
Chiral centers 1
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 1
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
loader