Chemical ID: 4583963

C1Cc2c(non2)-c3c1non3
Chemical ID:
4583963
Name [?]:
None
SMILES [?]:
C1Cc2c(non2)-c3c1non3
InChi [?]:
InChI=1/C6H4N4O2/c1-2-4-6(10-12-8-4)5-3(1)7-11-9-5/h1-2H2
InChi Info:
AuxInfo=1/0/N:1,2,9,3,8,4,10,7,12,5,11,6/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/rA:12nCCCCNONCCNON/rB:s1;s2;s3;d4;s5;d3s6;s4;s1s8;d9;s10;d8s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H4N4O2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:4.85175
Area:290.882
Solvation:-2.4203
Coulombic:-2.14176
Bond Count [?]
All:14
Single:10
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:164.122
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:1.71
LogP (Chemaxon):0.48

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Descriptor Annotations

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