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Chemical ID: 7679256
Chemical ID:
7679256
Name [?]:
None
SMILES [?]:
COc1ccc(cc1)n2c3c(c(=O)n(cn3)CC(=O)Nc4ccccc4F)nn2
InChi [?]:
InChI=1/C19H15FN6O3/c1-29-13-8-6-12(7-9-13)26-18-17(23-24-26)19(28)25(11-21-18)10-16(27)22-15-5-3-2-4-14(15)20/h2-9,11H,10H2,1H3,(H,22,27)
InChi Info:
AuxInfo=1/1/N:1,24,23,25,22,5,7,4,8,17,15,6,3,26,21,18,11,10,12,27,16,20,28,29,14,9,19,13,2/E:(6,7)(8,9)/rA:29nCOCCCCCCNCCCONCNCCONCCCCCCFNN/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;d12;s12;s14;s10d15;s14;s17;d18;s18;s20;s21;d22;s23;d24;d21s25;s26;s11;s9d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H15FN6O3 |
All Atoms: | 44 |
Heavy Atoms: | 29 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.14579 |
Area: | 592.023 |
Solvation: | -5.65479 |
Coulombic: | -59.2198 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.28 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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