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P-502652910

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Name File
SDF P-502652910.sdf
SMILES P-502652910.smiles
Standard InChI P-502652910.inchi
InChIKey P-502652910.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-502652910 Innovapharm Screening Compounds 90 in stock
Property Value
Components 1
Mass 412.268
logP 4.4898
H-bond acceptors 6
H-bond donors 2
Rotatable bonds 6
PSA 111.13
RO5 violations 0
RO3 violations 5
Refractivity 101.1331
Atoms 38
Rings 3
Heavy atoms 26
Hydrogen atoms 12
Heteroatoms 10
N/O atoms 6
Inorganic atoms 0
Halogen atoms 3
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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