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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 109 USD 90 17 working days Get Quote
5 mg 126 USD 90 17 working days Get Quote
10 mg 140 USD 90 17 working days Get Quote
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Name File
SDF P-3115717.sdf
SMILES P-3115717.smiles
Standard InChI P-3115717.inchi
InChIKey P-3115717.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability Updated
P-3115717 VITAS M CHEMICAL LIMITED Screening compounds 90 10 mg 20 hours ago
Property Value
Components 1
Mass 461.580
logP 3.0686
H-bond acceptors 9
H-bond donors 0
Rotatable bonds 9
PSA 96.13
RO5 violations 0
RO3 violations 5
Refractivity 132.9755
Atoms 63
Rings 4
Heavy atoms 32
Hydrogen atoms 31
Heteroatoms 10
N/O atoms 9
Inorganic atoms 0
Halogen atoms 0
Chiral centers 2
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 2
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0