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  1. InChIKey:
  2. SMILES:
  3. Formula:
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1 mg 39 USD 95 9 working days Get Quote
5 mg 39 USD 95 9 working days Get Quote
10 mg 39 USD 95 9 working days Get Quote
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Name File
SDF P-869108243.sdf
SMILES P-869108243.smiles
Standard InChI P-869108243.inchi
InChIKey P-869108243.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-869108243 TargetMol Screening Compounds - synthesis 95 by synthesis
Property Value
Components 3
Mass 625.548
logP 6.4656
H-bond acceptors 14
H-bond donors 12
Rotatable bonds 17
PSA 242.18
RO5 violations 4
RO3 violations 6
Refractivity 170.4266
Atoms 80
Rings 2
Heavy atoms 42
Hydrogen atoms 38
Heteroatoms 16
N/O atoms 14
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 4
Cis/trans stereo double bonds 0
Unknown stereo double bonds 4
Undefined stereo double bonds 0