Chemical ID: 6690919

Cc1cc2c(cc1C)n(c-3nc(=O)[nH]c(=O)c3n2)C
Chemical ID:
6690919
Name [?]:
None
SMILES [?]:
Cc1cc2c(cc1C)n(c-3nc(=O)[nH]c(=O)c3n2)C
InChi [?]:
InChI=1/C13H12N4O2/c1-6-4-8-9(5-7(6)2)17(3)11-10(14-8)12(18)16-13(19)15-11/h4-5H,1-3H3,(H,16,18,19)
InChi Info:
AuxInfo=1/1/N:1,8,19,3,6,2,7,4,5,17,10,15,12,18,11,14,9,16,13/rA:19nCCCCCCCCNCNCONCOCNC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s11;d12;s12;s14;d15;s10s15;s4d17;s9;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H12N4O2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.08663
Area:417.483
Solvation:-2.35044
Coulombic:-50.9751
Bond Count [?]
All:21
Single:14
Double:7
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:256.26
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:0.97
LogP (Chemaxon):0.6

Name Annotations

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Descriptor Annotations

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