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P-502557302

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Name File
SDF P-502557302.sdf
SMILES P-502557302.smiles
Standard InChI P-502557302.inchi
InChIKey P-502557302.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-502557302 Innovapharm Virtual Building Blocks 95 by synthesis
Property Value
Components 1
Mass 181.231
logP 1.7777
H-bond acceptors 3
H-bond donors 2
Rotatable bonds 4
PSA 55.48
RO5 violations 0
RO3 violations 1
Refractivity 51.3832
Atoms 28
Rings 1
Heavy atoms 13
Hydrogen atoms 15
Heteroatoms 3
N/O atoms 3
Inorganic atoms 0
Halogen atoms 0
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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