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Chemical ID: 5723151
Chemical ID:
5723151
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:25nCNCCCONCOCNCCOCNCCCCCCNOO/rB:s1;s2;d3;s4;d5;s5;s2s7;d8;s7;s4;s11;d12;s13;s11s14;s3d15;s13;s17;d18;s19;d20;d17s21;s21;d23;d23;/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: | 18 |
Double: | 10 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 341.279 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 1.82 |
LogP (Chemaxon): | 2.34 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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