Chemical ID: 7222154

Cc1c(cn(n1)CCc2nc3c4ccccc4ncn3n2)[N+](=O)[O-]
Chemical ID:
7222154
Name [?]:
None
SMILES [?]:
Cc1c(cn(n1)CCc2nc3c4ccccc4ncn3n2)[N+](=O)[O-]
InChi [?]:
InChI=1/C15H13N7O2/c1-10-13(22(23)24)8-20(18-10)7-6-14-17-15-11-4-2-3-5-12(11)16-9-21(15)19-14/h2-5,8-9H,6-7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,14,15,13,16,8,7,4,19,2,12,17,3,9,11,18,10,6,21,5,20,22,23,24/E:(23,24)/CRV:22.5/rA:24nCCCCNNCCCNCCCCCCCNCNNN+OO-/rB:s1;s2;d3;s4;d2s5;s5;s7;s8;s9;d10;s11;s12;d13;s14;d15;d12s16;s17;d18;s11s19;d9s20;s3;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13N7O2
All Atoms:37
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:5.99963
Area:524.554
Solvation:-7.11422
Coulombic:-34.4143
Bond Count [?]
All:27
Single:18
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:323.31
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.97
LogP (Chemaxon):2.77

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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