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Chemical ID: 4583963
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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