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  1. InChIKey:
  2. SMILES:
  3. Formula:
Amount Price  Help
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1 mg 103 USD 90 10 working days Get Quote
5 mg 103 USD 90 10 working days Get Quote
10 mg 103 USD 90 10 working days Get Quote
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Name File
SDF P-856018113.sdf
SMILES P-856018113.smiles
Standard InChI P-856018113.inchi
InChIKey P-856018113.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability Updated
P-856018113 LaboTest Screening Collection 90 in stock September 1, 2021
Property Value
Components 1
Mass 301.426
logP 2.2791
H-bond acceptors 4
H-bond donors 1
Rotatable bonds 4
PSA 35.58
RO5 violations 0
RO3 violations 3
Refractivity 98.6957
Atoms 49
Rings 3
Heavy atoms 22
Hydrogen atoms 27
Heteroatoms 4
N/O atoms 4
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