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  1. InChIKey:
  2. SMILES:
  3. Formula:
Amount Price  Help
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Purity (%) Delivery time  Help
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1 mg 141 USD 92 9 working days Get Quote
5 mg 141 USD 92 9 working days Get Quote
10 mg 141 USD 92 9 working days Get Quote
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Name File
SDF P-13329413.sdf
SMILES P-13329413.smiles
Standard InChI P-13329413.inchi
InChIKey P-13329413.txt
mcule product ID Supplier Catalog Purity (%) Product matching Availability Updated
P-13329413 Pharmeks Semi-natural compounds 92 in stock November 2, 2012
Property Value
Components 2
Mass 203.664
logP 0.4208
H-bond acceptors 3
H-bond donors 3
Rotatable bonds 3
PSA 57.07
RO5 violations 0
RO3 violations 0
Refractivity 55.2312
Atoms 27
Rings 1
Heavy atoms 13
Hydrogen atoms 14
Heteroatoms 4
N/O atoms 3
Inorganic atoms 0
Halogen atoms 1
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