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P-502374666

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  1. InChIKey:
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Name File
SDF P-502374666.sdf
SMILES P-502374666.smiles
Standard InChI P-502374666.inchi
InChIKey P-502374666.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-502374666 TimTec Building Block Collection 90 in stock
Property Value
Components 1
Mass 179.172
logP 1.2724
H-bond acceptors 4
H-bond donors 1
Rotatable bonds 3
PSA 69.39
RO5 violations 0
RO3 violations 2
Refractivity 45.8164
Atoms 22
Rings 1
Heavy atoms 13
Hydrogen atoms 9
Heteroatoms 4
N/O atoms 4
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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