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Chemical ID: 6046621
Chemical ID:
6046621
Name [?]:
None
SMILES [?]:
Cc1cnc2ccc3c(c2n1)nc(n3C)NO
InChi [?]:
InChI=1/C11H11N5O/c1-6-5-12-7-3-4-8-10(9(7)13-6)14-11(15-17)16(8)2/h3-5,17H,1-2H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,15,6,7,3,2,5,8,10,9,13,4,11,12,16,14,17/rA:17nCCCNCCCCCCNNCNCNO/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;d2s10;s9;d12;s8s13;s14;s13;s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H11N5O |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.76825 |
Area: | 395.676 |
Solvation: | -4.12364 |
Coulombic: | -41.049 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 229.238 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 1.17 |
LogP (Chemaxon): | 0.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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