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Chemical ID: 7222154
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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