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Chemical ID: 4603690
Chemical ID:
4603690
Name [?]:
None
SMILES [?]:
Cc1nc-2c(n1O)CCc3c2non3
InChi [?]:
InChI=1/C8H8N4O2/c1-4-9-8-6(12(4)13)3-2-5-7(8)11-14-10-5/h13H,2-3H2,1H3
InChi Info:
AuxInfo=1/0/N:1,9,8,2,10,5,11,4,3,14,12,6,7,13/rA:14nCCNCCNOCCCCNON/rB:s1;d2;s3;d4;s2s5;s6;s5;s8;s9;s4s10;d11;s12;d10s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H8N4O2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.6762 |
Area: | 339.922 |
Solvation: | -2.82186 |
Coulombic: | -20.3062 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 192.175 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 0.22 |
LogP (Chemaxon): | -3.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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