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UNKNOWN STEREO

P-638140899

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  1. InChIKey:
  2. SMILES:
  3. Formula:
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1 mg 377 USD 90 38 working days Get Quote
5 mg 507 USD 90 38 working days Get Quote
10 mg 507 USD 90 38 working days Get Quote
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Name File
SDF P-638140899.sdf
SMILES P-638140899.smiles
Standard InChI P-638140899.inchi
InChIKey P-638140899.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-638140899 Otava Tangible screening compounds 90 by synthesis
Property Value
Components 1
Mass 455.470
logP 0.2875
H-bond acceptors 12
H-bond donors 3
Rotatable bonds 9
PSA 227.05
RO5 violations 1
RO3 violations 4
Refractivity 109.8969
Atoms 47
Rings 3
Heavy atoms 30
Hydrogen atoms 17
Heteroatoms 14
N/O atoms 12
Inorganic atoms 0
Halogen atoms 0
Chiral centers 2
R/S chiral centers 2
Unknown chiral centers 0
Undefined chiral centers 0
Stereo double bonds 1
Cis/trans stereo double bonds 0
Unknown stereo double bonds 1
Undefined stereo double bonds 0
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