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

P-869178038

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-869178038.sdf
SMILES P-869178038.smiles
Standard InChI P-869178038.inchi
InChIKey P-869178038.txt
Property Value
Components 2
Mass 113.611
logP 1.3772
H-bond acceptors 1
H-bond donors 1
Rotatable bonds 1
PSA 64.82
RO5 violations 0
RO3 violations 1
Refractivity 29.3294
Atoms 13
Rings 0
Heavy atoms 5
Hydrogen atoms 8
Heteroatoms 3
N/O atoms 1
Inorganic atoms 0
Halogen atoms 1
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