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P-874581964

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Name File
SDF P-874581964.sdf
SMILES P-874581964.smiles
Standard InChI P-874581964.inchi
InChIKey P-874581964.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-874581964 ChemDiv Discovery Chemistry Library 90 unavailable
Property Value
Components 1
Mass 400.925
logP 5.039
H-bond acceptors 5
H-bond donors 1
Rotatable bonds 7
PSA 85.11
RO5 violations 1
RO3 violations 5
Refractivity 112.0237
Atoms 48
Rings 3
Heavy atoms 27
Hydrogen atoms 21
Heteroatoms 7
N/O atoms 5
Inorganic atoms 0
Halogen atoms 1
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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