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UNKNOWN STEREO

P-580232213

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Name File
SDF P-580232213.sdf
SMILES P-580232213.smiles
Standard InChI P-580232213.inchi
InChIKey P-580232213.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-580232213 Aldlab Chemicals Building Block Custom Synth 95 by synthesis
Property Value
Components 2
Mass 206.240
logP 1.0188
H-bond acceptors 6
H-bond donors 4
Rotatable bonds 5
PSA 126.64
RO5 violations 0
RO3 violations 4
Refractivity 51.6424
Atoms 32
Rings 0
Heavy atoms 14
Hydrogen atoms 18
Heteroatoms 6
N/O atoms 6
Inorganic atoms 0
Halogen atoms 0
Chiral centers 1
R/S chiral centers 1
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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