61711-30-6 Purity
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The molecular formula of C.I. 564100 is C18H10N2O.
The computed molecular weight of C.I. 564100 is 270.3 g/mol.
The IUPAC Name of C.I. 564100 is 2,11-diazapentacyclo[10.7.1.0 2,10 .0 4,9 .0 16,20 ]icosa-1(19),4,6,8,10,12,14,16(20),17-nonaen-3-one.
The InChI of C.I. 564100 is InChI=1S/C18H10N2O/c21-18-13-8-2-1-7-12(13)17-19-14-9-3-5-11-6-4-10-15(16(11)14)20(17)18/h1-10H.
The InChIKey of C.I. 564100 is XFYQEBBUVNLYBR-UHFFFAOYSA-N.
There are 0 hydrogen bond donor counts in C.I. 564100.
There are 2 hydrogen bond acceptor counts in C.I. 564100.
The XLogP3-AA value of C.I. 564100 is 3.4.
The topological polar surface area of C.I. 564100 is 32.7 Ų.
The heavy atom count of C.I. 564100 is 21.
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