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P-675529917

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Name File
SDF P-675529917.sdf
SMILES P-675529917.smiles
Standard InChI P-675529917.inchi
InChIKey P-675529917.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-675529917 Innovapharm Virtual Screening Compounds 90 by synthesis
Property Value
Components 2
Mass 437.362
logP 5.9961
H-bond acceptors 12
H-bond donors 1
Rotatable bonds 4
PSA 174.99
RO5 violations 2
RO3 violations 5
Refractivity 120.525
Atoms 47
Rings 4
Heavy atoms 32
Hydrogen atoms 15
Heteroatoms 12
N/O atoms 12
Inorganic atoms 0
Halogen atoms 0
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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