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Chemical ID: 5758559
Chemical ID:
5758559
Name [?]:
None
SMILES [?]:
c1cc2c(c3c1cn[nH]3)C(=O)C(=O)N2
InChi [?]:
InChI=1/C9H5N3O2/c13-8-6-5(11-9(8)14)2-1-4-3-10-12-7(4)6/h1-3H,(H,10,12)(H,11,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,7,6,3,4,5,10,12,8,14,9,11,13/rA:14nCCCCCCCNNCOCON/rB:s1;d2;s3;d4;d1s5;s6;d7;s5s8;s4;d10;s10;d12;s3s12;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H5N3O2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.01398 |
Area: | 331.276 |
Solvation: | -3.26791 |
Coulombic: | -38.7791 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 6 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 187.155 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 0.71 |
LogP (Chemaxon): | 1.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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