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P-895199002

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Name File
SDF P-895199002.sdf
SMILES P-895199002.smiles
Standard InChI P-895199002.inchi
InChIKey P-895199002.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-895199002 MedChemExpress Screening compounds on demand 95 by synthesis
Property Value
Components 2
Mass 412.459
logP 0.9287
H-bond acceptors 9
H-bond donors 4
Rotatable bonds 7
PSA 175.97
RO5 violations 0
RO3 violations 5
Refractivity 112.5902
Atoms 52
Rings 2
Heavy atoms 28
Hydrogen atoms 24
Heteroatoms 10
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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