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

P-580406618

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-580406618.sdf
SMILES P-580406618.smiles
Standard InChI P-580406618.inchi
InChIKey P-580406618.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-580406618 Debye Scientific General Catalog 95 by resynthesis (? - ? days)
Property Value
Components 1
Mass 199.247
logP 1.5243
H-bond acceptors 4
H-bond donors 0
Rotatable bonds 3
PSA 46.61
RO5 violations 0
RO3 violations 1
Refractivity 56.793
Atoms 31
Rings 1
Heavy atoms 14
Hydrogen atoms 17
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