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P-500371390

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Name File
SDF P-500371390.sdf
SMILES P-500371390.smiles
Standard InChI P-500371390.inchi
InChIKey P-500371390.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-500371390 Pi Chemicals Virtual Compounds 98 by synthesis
Property Value
Components 1
Mass 368.378
logP 3.3699
H-bond acceptors 6
H-bond donors 2
Rotatable bonds 8
PSA 93.06
RO5 violations 0
RO3 violations 5
Refractivity 102.803
Atoms 47
Rings 2
Heavy atoms 27
Hydrogen atoms 20
Heteroatoms 6
N/O atoms 6
Inorganic atoms 0
Halogen atoms 0
Chiral centers 0
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 0
Stereo double bonds 2
Cis/trans stereo double bonds 0
Unknown stereo double bonds 2
Undefined stereo double bonds 0
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