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P-490077639

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Name File
SDF P-490077639.sdf
SMILES P-490077639.smiles
Standard InChI P-490077639.inchi
InChIKey P-490077639.txt
mcule product ID Supplier Catalog Purity (%) Product matching Availability Updated
P-490077639 Azepine Azepine Building Blocks by synthesis 95 by synthesis June 23, 2017
Property Value
Components 1
Mass 169.178
logP 1.0049
H-bond acceptors 4
H-bond donors 4
Rotatable bonds 2
PSA 86.71
RO5 violations 0
RO3 violations 3
Refractivity 44.9914
Atoms 23
Rings 1
Heavy atoms 12
Hydrogen atoms 11
Heteroatoms 4
N/O atoms 4
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 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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