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P-592667104

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Name File
SDF P-592667104.sdf
SMILES P-592667104.smiles
Standard InChI P-592667104.inchi
InChIKey P-592667104.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-592667104 Otava Virtual BB 95 by synthesis
Property Value
Components 2
Mass 202.225
logP 1.1188
H-bond acceptors 2
H-bond donors 0
Rotatable bonds 1
PSA 40.13
RO5 violations 0
RO3 violations 0
Refractivity 49.5985
Atoms 29
Rings 2
Heavy atoms 14
Hydrogen atoms 15
Heteroatoms 3
N/O atoms 2
Inorganic atoms 1
Halogen atoms 0
Chiral centers 2
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 2
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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