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P-502447747

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Name File
SDF P-502447747.sdf
SMILES P-502447747.smiles
Standard InChI P-502447747.inchi
InChIKey P-502447747.txt
mcule product ID Supplier Catalog Purity (%) Product matching Availability Updated
P-502447747 Innovapharm Virtual Building Blocks 95 by synthesis August 21, 2017
Property Value
Components 1
Mass 180.204
logP 1.4549
H-bond acceptors 4
H-bond donors 2
Rotatable bonds 4
PSA 64.35
RO5 violations 0
RO3 violations 3
Refractivity 48.4161
Atoms 25
Rings 1
Heavy atoms 13
Hydrogen atoms 12
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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