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  1. InChIKey:
  2. SMILES:
  3. Formula:
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1 mg 34 USD 90 17 working days Get Quote
5 mg 51 USD 90 17 working days Get Quote
10 mg 65 USD 90 17 working days Get Quote
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Name File
SDF P-552084.sdf
SMILES P-552084.smiles
Standard InChI P-552084.inchi
InChIKey P-552084.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-552084 VITAS M CHEMICAL LIMITED Screening compounds 90 22 mg
Property Value
Components 2
Mass 254.593
logP 4.0102
H-bond acceptors 1
H-bond donors 1
Rotatable bonds 3
PSA 12.03
RO5 violations 0
RO3 violations 1
Refractivity 60.4257
Atoms 29
Rings 1
Heavy atoms 12
Hydrogen atoms 17
Heteroatoms 3
N/O atoms 1
Inorganic atoms 0
Halogen atoms 2
Chiral centers 0
R/S chiral centers 0
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