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:
Amount Price  Help
Optimized compound price excluding delivery costs. Please note that automatic quote generation will optimize the total price based on your preferences.
Guaranteed purity (%) Delivery time  Help
Estimated door-to-door delivery time for EU and US customers. It will be refined and optimized during quote generation after the shipping country is specified.
1 mg 39 USD 95 9 working days Get Quote
5 mg 75 USD 95 9 working days Get Quote
10 mg 95 USD 95 9 working days Get Quote
New customers are eligible for a 10% discount if indicated at the time of ordering.
  1. Get quote for multiple compounds
  2. Get custom quote

Name File
SDF P-869162228.sdf
SMILES P-869162228.smiles
Standard InChI P-869162228.inchi
InChIKey P-869162228.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-869162228 TargetMol Screening Compounds - synthesis 95 by synthesis
Property Value
Components 1
Mass 440.856
logP 3.2296
H-bond acceptors 8
H-bond donors 2
Rotatable bonds 6
PSA 97.86
RO5 violations 0
RO3 violations 5
Refractivity 115.0045
Atoms 49
Rings 4
Heavy atoms 31
Hydrogen atoms 18
Heteroatoms 10
N/O atoms 8
Inorganic atoms 0
Halogen atoms 2
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