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Chemical ID: 7674411
Chemical ID:
7674411
Name [?]:
None
SMILES [?]:
Cc1cc(c2c(nn(c2n1)C)C)C(=O)NCCCn3cccn3
InChi [?]:
InChI=1/C16H20N6O/c1-11-10-13(14-12(2)20-21(3)15(14)19-11)16(23)17-6-4-8-22-9-5-7-18-22/h5,7,9-10H,4,6,8H2,1-3H3,(H,17,23)
InChi Info:
AuxInfo=1/1/N:1,12,11,17,21,16,22,18,20,3,2,6,4,5,9,13,15,23,10,7,8,19,14/rA:23nCCCCCCNNCNCCCONCCCNCCCN/rB:s1;s2;d3;s4;s5;d6;s7;d5s8;d2s9;s8;s6;s4;d13;s13;s15;s16;s17;s18;s19;d20;s21;s19d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H20N6O |
All Atoms: | 43 |
Heavy Atoms: | 23 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.40843 |
Area: | 536.587 |
Solvation: | -4.00626 |
Coulombic: | -33.169 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.04 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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