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P-502369440

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Name File
SDF P-502369440.sdf
SMILES P-502369440.smiles
Standard InChI P-502369440.inchi
InChIKey P-502369440.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability Updated
P-502369440 TimTec Building Block Collection 90 in stock February 1, 2015
Property Value
Components 1
Mass 255.652
logP 1.8682
H-bond acceptors 5
H-bond donors 1
Rotatable bonds 4
PSA 64.63
RO5 violations 0
RO3 violations 3
Refractivity 61.8082
Atoms 27
Rings 2
Heavy atoms 17
Hydrogen atoms 10
Heteroatoms 6
N/O atoms 5
Inorganic atoms 0
Halogen atoms 1
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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