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P-33741271

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Name File
SDF P-33741271.sdf
SMILES P-33741271.smiles
Standard InChI P-33741271.inchi
InChIKey P-33741271.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability Updated
P-33741271 TimTec ActiMol 4 Week N/A in stock April 1, 2014
Property Value
Components 3
Mass 515.861
logP 0.9815
H-bond acceptors 11
H-bond donors 6
Rotatable bonds 8
PSA 202.57
RO5 violations 3
RO3 violations 5
Refractivity 123.445
Atoms 64
Rings 2
Heavy atoms 32
Hydrogen atoms 32
Heteroatoms 14
N/O atoms 11
Inorganic atoms 0
Halogen atoms 1
Chiral centers 1
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 1
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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