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P-504003960

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Name File
SDF P-504003960.sdf
SMILES P-504003960.smiles
Standard InChI P-504003960.inchi
InChIKey P-504003960.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-504003960 Innovapharm Virtual Screening Compounds 90 by synthesis
Property Value
Components 1
Mass 313.398
logP 4.2965
H-bond acceptors 3
H-bond donors 1
Rotatable bonds 3
PSA 95.72
RO5 violations 0
RO3 violations 3
Refractivity 92.8477
Atoms 32
Rings 3
Heavy atoms 21
Hydrogen atoms 11
Heteroatoms 5
N/O atoms 3
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 0
Unknown stereo double bonds 1
Undefined stereo double bonds 0
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