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Chemical ID: 7677779
Chemical ID:
7677779
Name [?]:
None
SMILES [?]:
c1ccc(cc1)n2c3c(c(=O)n(cn3)CC(=O)NCc4ccc(cc4)F)nn2
InChi [?]:
InChI=1/C19H15FN6O2/c20-14-8-6-13(7-9-14)10-21-16(27)11-25-12-22-18-17(19(25)28)23-24-26(18)15-4-2-1-3-5-15/h1-9,12H,10-11H2,(H,21,27)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,21,25,22,24,19,15,13,20,23,4,16,9,8,10,26,18,14,27,28,12,7,17,11/E:(2,3)(4,5)(6,7)(8,9)/rA:28nCCCCCCNCCCONCNCCONCCCCCCCFNN/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;s10;s12;s8d13;s12;s15;d16;s16;s18;s19;s20;d21;s22;d23;d20s24;s23;s9;s7d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H15FN6O2 |
All Atoms: | 43 |
Heavy Atoms: | 28 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.9913 |
Area: | 588.705 |
Solvation: | -4.72633 |
Coulombic: | -53.3318 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.51 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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