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P-592682373

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Name File
SDF P-592682373.sdf
SMILES P-592682373.smiles
Standard InChI P-592682373.inchi
InChIKey P-592682373.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-592682373 Otava Virtual BB 95 by synthesis
Property Value
Components 3
Mass 353.281
logP 3.0584
H-bond acceptors 5
H-bond donors 1
Rotatable bonds 7
PSA 42.96
RO5 violations 0
RO3 violations 4
Refractivity 95.7477
Atoms 48
Rings 2
Heavy atoms 22
Hydrogen atoms 26
Heteroatoms 7
N/O atoms 5
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
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