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Chemical ID: 7707938
Chemical ID:
7707938
Name [?]:
None
SMILES [?]:
COc1ccc(c(c1)C=NNC(=O)CNC(=O)c2ccc(cc2)F)O
InChi [?]:
InChI=1/C17H16FN3O4/c1-25-14-6-7-15(22)12(8-14)9-20-21-16(23)10-19-17(24)11-2-4-13(18)5-3-11/h2-9,22H,10H2,1H3,(H,19,24)(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,19,23,20,22,4,5,8,9,14,18,7,21,3,6,12,16,24,15,10,11,25,13,17,2/E:(2,3)(4,5)/rA:25nCOCCCCCCCNNCOCNCOCCCCCCFO/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;w9;s10;s11;d12;s12;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s21;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H16FN3O4 |
All Atoms: | 41 |
Heavy Atoms: | 25 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 6.58712 |
Area: | 567.134 |
Solvation: | -7.59122 |
Coulombic: | -65.1182 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 8 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.84 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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