Chemical ID: 6046110

c1cc2c(cc1C#N)[nH]c(=O)c(=O)[nH]2
Chemical ID:
6046110
Name [?]:
2,3-dioxo-1,4-dihydroquinoxaline-6-carbonitrile
SMILES [?]:
c1cc2c(cc1C#N)[nH]c(=O)c(=O)[nH]2
InChi [?]:
InChI=1/C9H5N3O2/c10-4-5-1-2-6-7(3-5)12-9(14)8(13)11-6/h1-3H,(H,11,13)(H,12,14)
InChi Info:
AuxInfo=1/1/N:1,2,5,7,6,3,4,12,10,8,14,9,13,11/rA:14nCCCCCCCNNCOCON/rB:s1;d2;s3;d4;d1s5;s6;t7;s4;s9;d10;s10;d12;s3s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H5N3O2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:5.89266
Area:348.802
Solvation:-2.8274
Coulombic:-47.2797
Bond Count [?]
All:15
Single:9
Double:5
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:187.155
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:-0.27
LogP (Chemaxon):0.64

Name Annotations

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Descriptor Annotations

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