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P-893065998

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Name File
SDF P-893065998.sdf
SMILES P-893065998.smiles
Standard InChI P-893065998.inchi
InChIKey P-893065998.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-893065998 A2B Chem Predominantly Building Block on demand N/A by synthesis
Property Value
Components 1
Mass 429.920
logP 3.9414
H-bond acceptors 6
H-bond donors 3
Rotatable bonds 5
PSA 114.75
RO5 violations 0
RO3 violations 5
Refractivity 118.057
Atoms 49
Rings 4
Heavy atoms 29
Hydrogen atoms 20
Heteroatoms 8
N/O atoms 6
Inorganic atoms 0
Halogen atoms 1
Chiral centers 1
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 1
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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