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  1. InChIKey:
  2. SMILES:
  3. Formula:
Amount Price  Help
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1 mg 51 USD 90 16 working days Get Quote
5 mg 76 USD 90 16 working days Get Quote
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Name File
SDF P-605504076.sdf
SMILES P-605504076.smiles
Standard InChI P-605504076.inchi
InChIKey P-605504076.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability Updated
P-605504076 ChemBridge Core Library 90 5 mg September 1
Property Value
Components 1
Mass 396.439
logP 1.6487
H-bond acceptors 8
H-bond donors 0
Rotatable bonds 5
PSA 77.02
RO5 violations 0
RO3 violations 4
Refractivity 112.086
Atoms 53
Rings 5
Heavy atoms 29
Hydrogen atoms 24
Heteroatoms 8
N/O atoms 8
Inorganic atoms 0
Halogen atoms 0
Chiral centers 1
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 1
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0