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


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-481499934.sdf
SMILES P-481499934.smiles
Standard InChI P-481499934.inchi
InChIKey P-481499934.txt
mcule product ID Supplier Catalog Purity (%) Product matching Availability Updated
P-481499934 Scientific Exchange, Inc. Compounds from stock in Eastern Europe N/A in stock June 13, 2016
Property Value
Components 1
Mass 400.468
logP 5.7645
H-bond acceptors 5
H-bond donors 1
Rotatable bonds 7
PSA 64.36
RO5 violations 1
RO3 violations 5
Refractivity 119.476
Atoms 54
Rings 4
Heavy atoms 30
Hydrogen atoms 24
Heteroatoms 5
N/O atoms 5
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