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UNKNOWN STEREO

P-500371373

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Name File
SDF P-500371373.sdf
SMILES P-500371373.smiles
Standard InChI P-500371373.inchi
InChIKey P-500371373.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-500371373 Pi Chemicals Virtual Compounds 98 by synthesis
Property Value
Components 1
Mass 220.224
logP 1.5282
H-bond acceptors 5
H-bond donors 4
Rotatable bonds 3
PSA 99.34
RO5 violations 0
RO3 violations 3
Refractivity 59.3809
Atoms 28
Rings 2
Heavy atoms 16
Hydrogen atoms 12
Heteroatoms 5
N/O atoms 5
Inorganic atoms 0
Halogen atoms 0
Chiral centers 1
R/S chiral centers 1
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
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