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Chemical ID: 5784676
Chemical ID:
5784676
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3c([nH]2)nc4c(n3)non4
InChi [?]:
InChI=1/C10H5N5O/c1-2-4-6-5(3-1)7-8(11-6)13-10-9(12-7)14-16-15-10/h1-4H,(H,11,13,15)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,4,7,8,12,11,9,13,10,14,16,15/rA:16nCCCCCCCCNNCCNNON/rB:s1;d2;s3;d4;d1s5;s5;s7;s4s8;d8;s10;s11;d7s12;d12;s14;d11s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H5N5O |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.7811 |
Area: | 355.065 |
Solvation: | -1.09553 |
Coulombic: | -29.6472 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 211.18 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 3.26 |
LogP (Chemaxon): | 2.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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