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


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-3246171.sdf
SMILES P-3246171.smiles
Standard InChI P-3246171.inchi
InChIKey P-3246171.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability Updated
P-3246171 VITAS M CHEMICAL LIMITED Collections of Fragments for Fragment-based Drug Discovery 90 33 mg 16 hours ago
Property Value
Components 1
Mass 230.237
logP 2.4749
H-bond acceptors 3
H-bond donors 1
Rotatable bonds 4
PSA 41.99
RO5 violations 0
RO3 violations 1
Refractivity 62.9947
Atoms 28
Rings 2
Heavy atoms 17
Hydrogen atoms 11
Heteroatoms 4
N/O atoms 3
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