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-502431481.sdf
SMILES P-502431481.smiles
Standard InChI P-502431481.inchi
InChIKey P-502431481.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-502431481 TimTec Building Block Collection 90 in stock
Property Value
Components 1
Mass 221.281
logP 1.84778
H-bond acceptors 4
H-bond donors 1
Rotatable bonds 3
PSA 105.07
RO5 violations 0
RO3 violations 2
Refractivity 58.3194
Atoms 26
Rings 1
Heavy atoms 15
Hydrogen atoms 11
Heteroatoms 5
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