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

P-580404497

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-580404497.sdf
SMILES P-580404497.smiles
Standard InChI P-580404497.inchi
InChIKey P-580404497.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-580404497 Debye Scientific General Catalog 95 by resynthesis (? - ? days)
Property Value
Components 1
Mass 108.141
logP 1.2406
H-bond acceptors 2
H-bond donors 1
Rotatable bonds 1
PSA 38.91
RO5 violations 0
RO3 violations 0
Refractivity 31.9104
Atoms 16
Rings 1
Heavy atoms 8
Hydrogen atoms 8
Heteroatoms 2
N/O atoms 2
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