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UNKNOWN STEREO

P-505495043

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Name File
SDF P-505495043.sdf
SMILES P-505495043.smiles
Standard InChI P-505495043.inchi
InChIKey P-505495043.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-505495043 Hangzhou Apichem Building Blocks in stock 95 in stock
Property Value
Components 1
Mass 705.629
logP 5.7073
H-bond acceptors 12
H-bond donors 0
Rotatable bonds 11
PSA 104.7
RO5 violations 3
RO3 violations 5
Refractivity 194.534
Atoms 87
Rings 7
Heavy atoms 49
Hydrogen atoms 38
Heteroatoms 14
N/O atoms 12
Inorganic atoms 0
Halogen atoms 2
Chiral centers 3
R/S chiral centers 2
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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