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

P-502861582

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-502861582.sdf
SMILES P-502861582.smiles
Standard InChI P-502861582.inchi
InChIKey P-502861582.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-502861582 Innovapharm Screening Compounds 90 in stock
Property Value
Components 1
Mass 381.396
logP 3.7107
H-bond acceptors 5
H-bond donors 0
Rotatable bonds 3
PSA 48.0
RO5 violations 0
RO3 violations 3
Refractivity 104.9385
Atoms 48
Rings 5
Heavy atoms 28
Hydrogen atoms 20
Heteroatoms 6
N/O atoms 5
Inorganic atoms 0
Halogen atoms 1
Chiral centers 1
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 1
Stereo double bonds 1
Cis/trans stereo double bonds 0
Unknown stereo double bonds 1
Undefined stereo double bonds 0
loader