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  1. InChIKey:
  2. SMILES:
  3. Formula:
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1 mg 195 USD 92 8 working days Get Quote
5 mg 195 USD 92 8 working days Get Quote
10 mg 195 USD 92 8 working days Get Quote
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Name File
SDF P-13081966.sdf
SMILES P-13081966.smiles
Standard InChI P-13081966.inchi
InChIKey P-13081966.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability Updated
P-13081966 InterBioScreen Screening Compounds 92 in stock November 2, 2012
Property Value
Components 1
Mass 483.624
logP 5.6454
H-bond acceptors 7
H-bond donors 1
Rotatable bonds 12
PSA 105.53
RO5 violations 1
RO3 violations 5
Refractivity 143.027
Atoms 67
Rings 3
Heavy atoms 34
Hydrogen atoms 33
Heteroatoms 8
N/O atoms 7
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 1
Cis/trans stereo double bonds 0
Unknown stereo double bonds 1
Undefined stereo double bonds 0