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Chemical ID: 7385322
Chemical ID:
7385322
Name [?]:
None
SMILES [?]:
c1c2c(nc3n1ncn3)CCCC2=O
InChi [?]:
InChI=1/C9H8N4O/c14-8-3-1-2-7-6(8)4-13-9(12-7)10-5-11-13/h4-5H,1-3H2
InChi Info:
AuxInfo=1/0/N:11,10,12,1,8,2,3,13,5,9,7,4,6,14/rA:14nCCCNCNNCNCCCCO/rB:d1;s2;d3;s4;s1s5;s6;d7;d5s8;s3;s10;s11;s2s12;d13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H8N4O |
All Atoms: | 22 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.82708 |
Area: | 333.658 |
Solvation: | -2.51437 |
Coulombic: | -23.5719 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 188.186 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | -0.84 |
LogP (Chemaxon): | 0.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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