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UNKNOWN STEREO

P-505546294

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  1. InChIKey:
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Name File
SDF P-505546294.sdf
SMILES P-505546294.smiles
Standard InChI P-505546294.inchi
InChIKey P-505546294.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-505546294 Hangzhou Apichem Building Blocks in stock 95 in stock
Property Value
Components 1
Mass 721.861
logP 9.087
H-bond acceptors 10
H-bond donors 4
Rotatable bonds 18
PSA 168.45
RO5 violations 2
RO3 violations 6
Refractivity 200.3677
Atoms 95
Rings 6
Heavy atoms 52
Hydrogen atoms 43
Heteroatoms 11
N/O atoms 10
Inorganic atoms 0
Halogen atoms 0
Chiral centers 3
R/S chiral centers 3
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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