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P-103896

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Name File
SDF P-103896.sdf
SMILES P-103896.smiles
Standard InChI P-103896.inchi
InChIKey P-103896.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-103896 Chemical Block Screening Library 90 62 mg
Property Value
Components 1
Mass 494.201
logP 5.6451
H-bond acceptors 4
H-bond donors 1
Rotatable bonds 4
PSA 78.2
RO5 violations 1
RO3 violations 5
Refractivity 118.735
Atoms 40
Rings 3
Heavy atoms 26
Hydrogen atoms 14
Heteroatoms 7
N/O atoms 4
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 2
Cis/trans stereo double bonds 2
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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