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P-3241516

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Name File
SDF P-3241516.sdf
SMILES P-3241516.smiles
Standard InChI P-3241516.inchi
InChIKey P-3241516.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-3241516 VITAS M CHEMICAL LIMITED Collections of Fragments for Fragment-based Drug Discovery 90 1.588 g
Property Value
Components 1
Mass 249.087
logP 3.237
H-bond acceptors 3
H-bond donors 1
Rotatable bonds 5
PSA 46.53
RO5 violations 0
RO3 violations 2
Refractivity 59.1468
Atoms 25
Rings 1
Heavy atoms 15
Hydrogen atoms 10
Heteroatoms 5
N/O atoms 3
Inorganic atoms 0
Halogen atoms 2
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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