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P-3240994

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Name File
SDF P-3240994.sdf
SMILES P-3240994.smiles
Standard InChI P-3240994.inchi
InChIKey P-3240994.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-3240994 VITAS M CHEMICAL LIMITED Collections of Fragments for Fragment-based Drug Discovery 90 105 mg
Property Value
Components 1
Mass 245.248
logP 3.1596
H-bond acceptors 3
H-bond donors 1
Rotatable bonds 4
PSA 38.33
RO5 violations 0
RO3 violations 2
Refractivity 67.1062
Atoms 30
Rings 2
Heavy atoms 18
Hydrogen atoms 12
Heteroatoms 4
N/O atoms 3
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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