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Chemical ID: 7706721
Chemical ID:
7706721
Name [?]:
None
SMILES [?]:
COc1cccc(c1)N=Nc2c(nn3c2[nH]c4c(c3=O)CCC4)N
InChi [?]:
InChI=1/C16H16N6O2/c1-24-10-5-2-4-9(8-10)19-20-13-14(17)21-22-15(13)18-12-7-3-6-11(12)16(22)23/h2,4-5,8,18H,3,6-7H2,1H3,(H2,17,21)
InChi Info:
AuxInfo=1/1/N:1,5,22,6,4,21,23,8,7,3,18,17,11,12,15,19,24,16,9,10,13,14,20,2/rA:24nCOCCCCCCNNCCNNCNCCCOCCCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;w9;s10;s11;d12;s13;d11s14;s15;s16;d17;s14s18;d19;s18;s21;s17s22;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16N6O2 |
All Atoms: | 40 |
Heavy Atoms: | 24 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.44326 |
Area: | 522.689 |
Solvation: | -3.62395 |
Coulombic: | -55.2983 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.84 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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