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Chemical ID: 7677848
Chemical ID:
7677848
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)n2c3c(c(=O)n(cn3)CC(=O)N4CCCCC4)nn2
InChi [?]:
InChI=1/C18H20N6O2/c1-13-5-7-14(8-6-13)24-17-16(20-21-24)18(26)23(12-19-17)11-15(25)22-9-3-2-4-10-22/h5-8,12H,2-4,9-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,22,21,23,3,7,4,6,20,24,16,14,2,5,17,10,9,11,15,25,26,19,13,8,18,12/E:(3,4)(5,6)(7,8)(9,10)/rA:26nCCCCCCCNCCCONCNCCONCCCCCNN/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d11;s11;s13;s9d14;s13;s16;d17;s17;s19;s20;s21;s22;s19s23;s10;s8d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H20N6O2 |
All Atoms: | 46 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.3342 |
Area: | 556.392 |
Solvation: | -3.57558 |
Coulombic: | -43.9391 |
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: | 1.08 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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