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

P-504617631

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-504617631.sdf
SMILES P-504617631.smiles
Standard InChI P-504617631.inchi
InChIKey P-504617631.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-504617631 Innovapharm Virtual Screening Compounds 90 by synthesis
Property Value
Components 1
Mass 180.157
logP 1.3101
H-bond acceptors 4
H-bond donors 1
Rotatable bonds 3
PSA 63.6
RO5 violations 0
RO3 violations 2
Refractivity 44.9003
Atoms 21
Rings 1
Heavy atoms 13
Hydrogen atoms 8
Heteroatoms 4
N/O atoms 4
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
loader