Specification: |
Descriptors computed from structure, you can know some information about N-Acetyl-1-aminopyrene (CAS NO.22755-15-3) :
Canonical SMILES: CC(=O)NC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1
InChI: InChI=1S/C18H13NO/c1-11(20)19-16-10-8-14-6-5-12-3-2-4-13-7-9-15(16)18(14)17(12)13/h2-10H,1H3,(H,19,20)
InChIKey: GJNGMQYHOZFQNX-UHFFFAOYSA-N
Exact Mass: 259.099714
MonoIsotopic Mass: 259.099714
Topological Polar Surface Area: 29.1
Heavy Atom Count: 20
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