Specification: |
Descriptors computed from structure, you can know some information about 1,7-Dinitrophenazine (CAS NO.105836-99-5) :
Canonical SMILES: C1=CC2=C(C(=C1)[N+](=O)[O-])N=C3C=CC(=CC3=N2)[N+](=O)[O-]
InChI: InChI=1S/C12H6N4O4/c17-15(18)7-4-5-8-10(6-7)13-9-2-1-3-11(16(19)20)12(9)14-8/h1-6H
InChIKey: XVHUXSNDANREND-UHFFFAOYSA-N
Exact Mass: 270.038905
MonoIsotopic Mass: 270.038905
Topological Polar Surface Area: 112
Heavy Atom Count: 20
|