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

P-580085779

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-580085779.sdf
SMILES P-580085779.smiles
Standard InChI P-580085779.inchi
InChIKey P-580085779.txt
Property Value
Components 2
Mass 309.338
logP 1.9481
H-bond acceptors 8
H-bond donors 6
Rotatable bonds 4
PSA 155.7
RO5 violations 1
RO3 violations 5
Refractivity 72.8671
Atoms 39
Rings 1
Heavy atoms 20
Hydrogen atoms 19
Heteroatoms 9
N/O atoms 8
Inorganic atoms 0
Halogen atoms 0
Chiral centers 1
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 1
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
loader