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

UNKNOWN STEREO

P-551959691

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-551959691.sdf
SMILES P-551959691.smiles
Standard InChI P-551959691.inchi
InChIKey P-551959691.txt
Property Value
Components 1
Mass 250.336
logP 2.7597
H-bond acceptors 4
H-bond donors 0
Rotatable bonds 6
PSA 32.78
RO5 violations 0
RO3 violations 2
Refractivity 73.123
Atoms 40
Rings 1
Heavy atoms 18
Hydrogen atoms 22
Heteroatoms 4
N/O atoms 4
Inorganic atoms 0
Halogen atoms 0
Chiral centers 1
R/S chiral centers 1
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