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P-3240678

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Name File
SDF P-3240678.sdf
SMILES P-3240678.smiles
Standard InChI P-3240678.inchi
InChIKey P-3240678.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-3240678 VITAS M CHEMICAL LIMITED Collections of Fragments for Fragment-based Drug Discovery 90 459 mg
Property Value
Components 1
Mass 188.225
logP 2.3553
H-bond acceptors 3
H-bond donors 1
Rotatable bonds 4
PSA 38.06
RO5 violations 0
RO3 violations 1
Refractivity 53.5647
Atoms 26
Rings 2
Heavy atoms 14
Hydrogen atoms 12
Heteroatoms 3
N/O atoms 3
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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