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

P-504107669

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-504107669.sdf
SMILES P-504107669.smiles
Standard InChI P-504107669.inchi
InChIKey P-504107669.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-504107669 Innovapharm Virtual Screening Compounds 90 by synthesis
Property Value
Components 1
Mass 328.366
logP 4.0049
H-bond acceptors 5
H-bond donors 2
Rotatable bonds 4
PSA 70.93
RO5 violations 0
RO3 violations 5
Refractivity 97.6357
Atoms 41
Rings 4
Heavy atoms 25
Hydrogen atoms 16
Heteroatoms 5
N/O atoms 5
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