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Chemical ID: 7678403
Chemical ID:
7678403
Name [?]:
None
SMILES [?]:
c1cc(ccc1n2c3c(c(=O)n(cn3)CC(=O)NC4CCCCC4)nn2)F
InChi [?]:
InChI=1/C18H19FN6O2/c19-12-6-8-14(9-7-12)25-17-16(22-23-25)18(27)24(11-20-17)10-15(26)21-13-4-2-1-3-5-13/h6-9,11,13H,1-5,10H2,(H,21,26)
InChi Info:
AuxInfo=1/1/N:22,21,23,20,24,2,4,1,5,15,13,3,19,6,16,9,8,10,27,14,18,25,26,12,7,17,11/E:(2,3)(4,5)(6,7)(8,9)/rA:27nCCCCCCNCCCONCNCCONCCCCCCNNF/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s9;d10;s10;s12;s8d13;s12;s15;d16;s16;s18;s19;s20;s21;s22;s19s23;s9;s7d25;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19FN6O2 |
All Atoms: | 46 |
Heavy Atoms: | 27 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.74692 |
Area: | 566.298 |
Solvation: | -4.41053 |
Coulombic: | -52.0632 |
Bond Count [?]
All: | 30 |
Single: | 22 |
Double: | 8 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.63 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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