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Chemical ID: 6488479
Chemical ID:
6488479
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)-c3c(nc(=O)[nH]c(=O)n3)C2=O
InChi [?]:
InChI=1/C11H5N3O3/c15-9-6-4-2-1-3-5(6)7-8(9)13-11(17)14-10(16)12-7/h1-4H,(H,14,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,4,7,8,16,13,10,15,9,12,17,14,11/rA:17nCCCCCCCCNCONCONCO/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;s10;s12;d13;d7s13;s4s8;d16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H5N3O3 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.51764 |
Area: | 379.793 |
Solvation: | -2.97717 |
Coulombic: | -53.6195 |
Bond Count [?]
All: | 19 |
Single: | 11 |
Double: | 8 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 227.176 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | -0.49 |
LogP (Chemaxon): | 1.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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