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

P-504021742

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-504021742.sdf
SMILES P-504021742.smiles
Standard InChI P-504021742.inchi
InChIKey P-504021742.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-504021742 Innovapharm Virtual Screening Compounds 90 by synthesis
Property Value
Components 2
Mass 178.546
logP 0.7035
H-bond acceptors 2
H-bond donors 0
Rotatable bonds 1
PSA 40.13
RO5 violations 0
RO3 violations 0
Refractivity 36.469
Atoms 15
Rings 1
Heavy atoms 11
Hydrogen atoms 4
Heteroatoms 4
N/O atoms 2
Inorganic atoms 1
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