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P-16049886

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Name File
SDF P-16049886.sdf
SMILES P-16049886.smiles
Standard InChI P-16049886.inchi
InChIKey P-16049886.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-16049886 ChemDiv Discovery Chemistry Library 90 unavailable
Property Value
Components 1
Mass 389.488
logP 2.2243
H-bond acceptors 7
H-bond donors 2
Rotatable bonds 11
PSA 87.74
RO5 violations 0
RO3 violations 4
Refractivity 111.0719
Atoms 59
Rings 2
Heavy atoms 28
Hydrogen atoms 31
Heteroatoms 7
N/O atoms 7
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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