Chemical ID: 7221607

Cc1c(cn(n1)Cc2nc3c4ccccc4ncn3n2)[N+](=O)[O-]
Chemical ID:
7221607
Name [?]:
None
SMILES [?]:
Cc1c(cn(n1)Cc2nc3c4ccccc4ncn3n2)[N+](=O)[O-]
InChi [?]:
InChI=1/C14H11N7O2/c1-9-12(21(22)23)6-19(17-9)7-13-16-14-10-4-2-3-5-11(10)15-8-20(14)18-13/h2-6,8H,7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,14,12,15,4,7,18,2,11,16,3,8,10,17,9,6,20,5,19,21,22,23/E:(22,23)/CRV:21.5/rA:23nCCCCNNCCNCCCCCCCNCNNN+OO-/rB:s1;s2;d3;s4;d2s5;s5;s7;s8;d9;s10;s11;d12;s13;d14;d11s15;s16;d17;s10s18;d8s19;s3;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H11N7O2
All Atoms:34
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:4.9015
Area:495.543
Solvation:-7.48707
Coulombic:-34.6158
Bond Count [?]
All:26
Single:17
Double:9
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:309.283
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.81
LogP (Chemaxon):2.59

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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