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Chemical ID: 6690919
Chemical ID:
6690919
Name [?]:
None
SMILES [?]:
Cc1cc2c(cc1C)n(c-3nc(=O)[nH]c(=O)c3n2)C
InChi [?]:
InChI=1/C13H12N4O2/c1-6-4-8-9(5-7(6)2)17(3)11-10(14-8)12(18)16-13(19)15-11/h4-5H,1-3H3,(H,16,18,19)
InChi Info:
AuxInfo=1/1/N:1,8,19,3,6,2,7,4,5,17,10,15,12,18,11,14,9,16,13/rA:19nCCCCCCCCNCNCONCOCNC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s11;d12;s12;s14;d15;s10s15;s4d17;s9;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H12N4O2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.08663 |
Area: | 417.483 |
Solvation: | -2.35044 |
Coulombic: | -50.9751 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 256.26 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 0.97 |
LogP (Chemaxon): | 0.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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