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P-12789102

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Name File
SDF P-12789102.sdf
SMILES P-12789102.smiles
Standard InChI P-12789102.inchi
InChIKey P-12789102.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-12789102 InterBioScreen Screening Compounds 92 unavailable
Property Value
Components 1
Mass 360.415
logP 2.93728
H-bond acceptors 7
H-bond donors 1
Rotatable bonds 5
PSA 161.72
RO5 violations 0
RO3 violations 4
Refractivity 90.3719
Atoms 36
Rings 3
Heavy atoms 24
Hydrogen atoms 12
Heteroatoms 9
N/O atoms 7
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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