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Chemical ID: 7677707
Chemical ID:
7677707
Name [?]:
None
SMILES [?]:
c1ccc(cc1)n2c3c(c(=O)n(cn3)CC(=O)N4CCCCCC4)nn2
InChi [?]:
InChI=1/C18H20N6O2/c25-15(22-10-6-1-2-7-11-22)12-23-13-19-17-16(18(23)26)20-21-24(17)14-8-4-3-5-9-14/h3-5,8-9,13H,1-2,6-7,10-12H2
InChi Info:
AuxInfo=1/0/N:21,22,1,2,6,20,23,3,5,19,24,15,13,4,16,9,8,10,14,25,26,18,12,7,17,11/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:26nCCCCCCNCCCONCNCCONCCCCCCNN/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;s10;s12;s8d13;s12;s15;d16;s16;s18;s19;s20;s21;s22;s18s23;s9;s7d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H20N6O2 |
All Atoms: | 46 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.058 |
Area: | 544.235 |
Solvation: | -3.54787 |
Coulombic: | -44.451 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.0 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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