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P-868813831

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Name File
SDF P-868813831.sdf
SMILES P-868813831.smiles
Standard InChI P-868813831.inchi
InChIKey P-868813831.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-868813831 Princeton Biomolecular Research Building Blocks Synthesis 95 by synthesis
Property Value
Components 1
Mass 465.335
logP 5.08558
H-bond acceptors 8
H-bond donors 3
Rotatable bonds 7
PSA 115.2
RO5 violations 1
RO3 violations 5
Refractivity 125.4851
Atoms 50
Rings 4
Heavy atoms 32
Hydrogen atoms 18
Heteroatoms 10
N/O atoms 8
Inorganic atoms 0
Halogen atoms 2
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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