Chemical ID: 5270529

Cn1c2c(c(=O)n(c1=O)C)n3cc(oc3n2)c4cccc(c4)[N+](=O)[O-]
Chemical ID:
5270529
Name [?]:
None
SMILES [?]:
Cn1c2c(c(=O)n(c1=O)C)n3cc(oc3n2)c4cccc(c4)[N+](=O)[O-]
InChi [?]:
InChI=1/C15H11N5O5/c1-17-12-11(13(21)18(2)15(17)22)19-7-10(25-14(19)16-12)8-4-3-5-9(6-8)20(23)24/h3-7H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,19,18,20,22,12,17,21,13,4,3,5,15,8,16,2,7,11,23,6,9,24,25,14/E:(23,24)/CRV:20.5/rA:25nCNCCCONCOCNCCOCNCCCCCCN+OO-/rB:s1;s2;d3;s4;d5;s5;s2s7;d8;s7;s4;s11;d12;s13;s11s14;s3d15;s13;s17;d18;s19;d20;d17s21;s21;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H11N5O5
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:4.67448
Area:520.963
Solvation:-8.34959
Coulombic:-68.1868
Bond Count [?]
All:28
Single:19
Double:9
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:341.279
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:1.7
LogP (Chemaxon):2.34

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