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

P-666982672

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-666982672.sdf
SMILES P-666982672.smiles
Standard InChI P-666982672.inchi
InChIKey P-666982672.txt
Property Value
Components 1
Mass 180.272
logP 2.3686
H-bond acceptors 2
H-bond donors 1
Rotatable bonds 3
PSA 71.0
RO5 violations 0
RO3 violations 1
Refractivity 54.2814
Atoms 24
Rings 1
Heavy atoms 12
Hydrogen atoms 12
Heteroatoms 3
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