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-504260511.sdf
SMILES P-504260511.smiles
Standard InChI P-504260511.inchi
InChIKey P-504260511.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-504260511 Innovapharm Virtual Screening Compounds 90 by synthesis
Property Value
Components 1
Mass 363.390
logP 2.1521
H-bond acceptors 8
H-bond donors 2
Rotatable bonds 5
PSA 117.21
RO5 violations 0
RO3 violations 4
Refractivity 93.7712
Atoms 42
Rings 3
Heavy atoms 25
Hydrogen atoms 17
Heteroatoms 9
N/O atoms 8
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