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P-502533048

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Name File
SDF P-502533048.sdf
SMILES P-502533048.smiles
Standard InChI P-502533048.inchi
InChIKey P-502533048.txt
mcule product ID Supplier Catalog Purity (%) Product matching Availability Updated
P-502533048 Innovapharm Virtual Building Blocks 95 by synthesis August 21, 2017
Property Value
Components 1
Mass 240.306
logP 0.5922
H-bond acceptors 6
H-bond donors 4
Rotatable bonds 7
PSA 177.24
RO5 violations 0
RO3 violations 4
Refractivity 55.0964
Atoms 26
Rings 0
Heavy atoms 14
Hydrogen atoms 12
Heteroatoms 8
N/O atoms 6
Inorganic atoms 0
Halogen atoms 0
Chiral centers 2
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 2
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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