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P-588724479

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Name File
SDF P-588724479.sdf
SMILES P-588724479.smiles
Standard InChI P-588724479.inchi
InChIKey P-588724479.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-588724479 VITAS M CHEMICAL LIMITED Virtual synthesis library N/A by synthesis
Property Value
Components 1
Mass 150.178
logP 1.5781
H-bond acceptors 3
H-bond donors 2
Rotatable bonds 2
PSA 69.11
RO5 violations 0
RO3 violations 1
Refractivity 43.5268
Atoms 21
Rings 1
Heavy atoms 11
Hydrogen atoms 10
Heteroatoms 3
N/O atoms 3
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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