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P-854621095

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Name File
SDF P-854621095.sdf
SMILES P-854621095.smiles
Standard InChI P-854621095.inchi
InChIKey P-854621095.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-854621095 Excenen Excenen compounds 98 in stock
Property Value
Components 1
Mass 401.837
logP 3.2425
H-bond acceptors 6
H-bond donors 3
Rotatable bonds 2
PSA 94.14
RO5 violations 0
RO3 violations 4
Refractivity 111.8358
Atoms 48
Rings 4
Heavy atoms 28
Hydrogen atoms 20
Heteroatoms 7
N/O atoms 6
Inorganic atoms 0
Halogen atoms 1
Chiral centers 2
R/S chiral centers 2
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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