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P-504265850

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Name File
SDF P-504265850.sdf
SMILES P-504265850.smiles
Standard InChI P-504265850.inchi
InChIKey P-504265850.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-504265850 Innovapharm Virtual Screening Compounds 90 by synthesis
Property Value
Components 1
Mass 440.275
logP 5.90348
H-bond acceptors 6
H-bond donors 2
Rotatable bonds 7
PSA 95.13
RO5 violations 1
RO3 violations 5
Refractivity 116.9574
Atoms 45
Rings 3
Heavy atoms 30
Hydrogen atoms 15
Heteroatoms 8
N/O atoms 6
Inorganic atoms 0
Halogen atoms 2
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 0
Unknown stereo double bonds 1
Undefined stereo double bonds 0
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