Chemical ID: 5758559

c1cc2c(c3c1cn[nH]3)C(=O)C(=O)N2
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

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Descriptor Annotations

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