Specification: |
Descriptors computed from structure, you can know some information about beta-Repellin (CAS NO.3613-97-6) :
Canonical SMILES: CCN(CC)C(=O)COC1=CC=CC=C1
InChI: InChI=1S/C12H17NO2/c1-3-13(4-2)12(14)10-15-11-8-6-5-7-9-11/h5-9H,3-4,
10H2,1-2H3
InChIKey: CAKRCYBQYAFXDI-UHFFFAOYSA-N
Exact Mass: 207.125929
MonoIsotopic Mass: 207.125929
Topological Polar Surface Area: 29.5
Heavy Atom Count: 15
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