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  1. InChIKey:
  2. SMILES:
  3. Formula:
Amount Price  Help
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1 mg 108 USD 90 30 working days Get Quote
5 mg 133 USD 90 30 working days Get Quote
10 mg 145 USD 90 30 working days Get Quote
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Name File
SDF P-890210894.sdf
SMILES P-890210894.smiles
Standard InChI P-890210894.inchi
InChIKey P-890210894.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-890210894 HTS Biochemie Innovationen GmbH Building Blocks 90 in stock
Property Value
Components 1
Mass 117.146
logP 0.8987
H-bond acceptors 3
H-bond donors 2
Rotatable bonds 3
PSA 63.32
RO5 violations 0
RO3 violations 1
Refractivity 30.6282
Atoms 19
Rings 0
Heavy atoms 8
Hydrogen atoms 11
Heteroatoms 3
N/O atoms 3
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