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Chemical ID: 7656392
Chemical ID:
7656392
Name [?]:
None
SMILES [?]:
c1cc(ccc1c2nc(on2)CCC(=O)O)F
InChi [?]:
InChI=1/C11H9FN2O3/c12-8-3-1-7(2-4-8)11-13-9(17-14-11)5-6-10(15)16/h1-4H,5-6H2,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,12,13,6,3,9,14,7,17,8,11,15,16,10/E:(1,2)(3,4)(15,16)/rA:17nCCCCCCCNCONCCCOOF/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s9;d7s10;s9;s12;s13;d14;s14;s3;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H9FN2O3 |
All Atoms: | 26 |
Heavy Atoms: | 17 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.01467 |
Area: | 415.401 |
Solvation: | -3.37037 |
Coulombic: | -40.4165 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.92 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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