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P-12713100

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Name File
SDF P-12713100.sdf
SMILES P-12713100.smiles
Standard InChI P-12713100.inchi
InChIKey P-12713100.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-12713100 InterBioScreen Screening Compounds 92 unavailable
Property Value
Components 1
Mass 394.423
logP 2.4027
H-bond acceptors 8
H-bond donors 2
Rotatable bonds 3
PSA 92.67
RO5 violations 0
RO3 violations 3
Refractivity 118.2484
Atoms 51
Rings 4
Heavy atoms 29
Hydrogen atoms 22
Heteroatoms 8
N/O atoms 8
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 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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