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P-489229634

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Name File
SDF P-489229634.sdf
SMILES P-489229634.smiles
Standard InChI P-489229634.inchi
InChIKey P-489229634.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-489229634 Amadis Chemical Company Limited Amadis Chemical General Catalog 97 in stock
Property Value
Components 1
Mass 507.585
logP 5.1182
H-bond acceptors 9
H-bond donors 3
Rotatable bonds 11
PSA 112.14
RO5 violations 2
RO3 violations 5
Refractivity 149.9496
Atoms 67
Rings 4
Heavy atoms 38
Hydrogen atoms 29
Heteroatoms 9
N/O atoms 9
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 1
Cis/trans stereo double bonds 1
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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