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Chemical ID: 6706222
Chemical ID:
6706222
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)ccc3c2c(cc(n3)c4ccccc4F)C(=O)[O-]
InChi [?]:
InChI=1/C20H12FNO2/c21-16-8-4-3-7-14(16)18-11-15(20(23)24)19-13-6-2-1-5-12(13)9-10-17(19)22-18/h1-11H,(H,23,24)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,17,18,6,3,16,19,7,8,12,5,4,15,11,20,9,13,10,22,21,14,23,24/E:(23,24)/rA:24nCCCCCCCCCCCCCNCCCCCCFCOO-/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;d11;s12;s9d13;s13;s15;d16;s17;d18;d15s19;s20;s11;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H11FNO2- |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -30.9106 |
Area: | 477.703 |
Solvation: | -42.8531 |
Coulombic: | -13.6257 |
Bond Count [?]
All: | 27 |
Single: | 16 |
Double: | 11 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 316.305 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.71 |
LogP (Chemaxon): | 4.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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