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Chemical ID: 7658341
Chemical ID:
7658341
Name [?]:
None
SMILES [?]:
Cc1ccn2c(c1)nc(c2NC(=O)c3cccc(c3)F)c4ccccc4
InChi [?]:
InChI=1/C21H16FN3O/c1-14-10-11-25-18(12-14)23-19(15-6-3-2-4-7-15)20(25)24-21(26)16-8-5-9-17(22)13-16/h2-13H,1H3,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,24,23,25,16,22,26,15,17,3,4,7,19,2,21,14,18,6,9,10,12,20,8,11,5,13/E:(3,4)(6,7)/rA:26nCCCCNCCNCCNCOCCCCCCFCCCCCC/rB:s1;s2;d3;s4;s5;d2s6;d6;s8;s5d9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s18;s9;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H16FN3O |
All Atoms: | 42 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.83467 |
Area: | 539.08 |
Solvation: | -3.64232 |
Coulombic: | -38.5158 |
Bond Count [?]
All: | 29 |
Single: | 18 |
Double: | 11 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.92 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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