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  1. InChIKey:
  2. SMILES:
  3. Formula:
Amount Price  Help
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Guaranteed purity (%) Delivery time  Help
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1 mg 18 USD 98 19 working days Get Quote
5 mg 18 USD 98 19 working days Get Quote
10 mg 18 USD 98 19 working days Get Quote
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Name File
SDF P-505351208.sdf
SMILES P-505351208.smiles
Standard InChI P-505351208.inchi
InChIKey P-505351208.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-505351208 AK Scientific Building Blocks 98 in stock
Property Value
Components 1
Mass 302.278
logP 2.5185
H-bond acceptors 6
H-bond donors 3
Rotatable bonds 2
PSA 96.22
RO5 violations 0
RO3 violations 3
Refractivity 78.0625
Atoms 36
Rings 3
Heavy atoms 22
Hydrogen atoms 14
Heteroatoms 6
N/O atoms 6
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