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  1. InChIKey:
  2. SMILES:
  3. Formula:
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1 mg 195 USD 92 14 working days Get Quote
5 mg 195 USD 92 14 working days Get Quote
10 mg 195 USD 92 14 working days Get Quote
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Name File
SDF P-854091725.sdf
SMILES P-854091725.smiles
Standard InChI P-854091725.inchi
InChIKey P-854091725.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-854091725 InterBioScreen Screening Compounds 92 114 mg
Property Value
Components 3
Mass 421.095
logP -0.9395
H-bond acceptors 6
H-bond donors 1
Rotatable bonds 7
PSA 109.36
RO5 violations 0
RO3 violations 4
Refractivity 71.0422
Atoms 31
Rings 1
Heavy atoms 21
Hydrogen atoms 10
Heteroatoms 9
N/O atoms 6
Inorganic atoms 2
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