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  1. InChIKey:
  2. SMILES:
  3. Formula:
Amount Price  Help
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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 111 USD 90 11 working days Get Quote
5 mg 225 USD 90 11 working days Get Quote
10 mg 450 USD 90 11 working days Get Quote
New customers are eligible for 10% discount if indicated at the time of ordering.
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Name File
SDF P-22489595.sdf
SMILES P-22489595.smiles
Standard InChI P-22489595.inchi
InChIKey P-22489595.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability Updated
P-22489595 TimTec ActiMol 1 Week 90 in stock April 1, 2014
Property Value
Components 1
Mass 352.265
logP 3.8083
H-bond acceptors 3
H-bond donors 0
Rotatable bonds 4
PSA 29.54
RO5 violations 0
RO3 violations 3
Refractivity 91.2675
Atoms 43
Rings 3
Heavy atoms 21
Hydrogen atoms 22
Heteroatoms 4
N/O atoms 3
Inorganic atoms 0
Halogen atoms 1
Chiral centers 2
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 2
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0