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Chemical ID: 6704339
Chemical ID:
6704339
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)ccc3c2c(cc(n3)c4ccc(cc4F)F)C(=O)[O-]
InChi [?]:
InChI=1/C20H11F2NO2/c21-12-6-7-14(16(22)9-12)18-10-15(20(24)25)19-13-4-2-1-3-11(13)5-8-17(19)23-18/h1-10H,(H,24,25)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,6,3,7,17,16,8,19,12,5,18,4,15,11,20,9,13,10,23,22,21,14,24,25/E:(24,25)/rA:25nCCCCCCCCCCCCCNCCCCCCFFCOO-/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;d11;s12;s9d13;s13;s15;d16;s17;d18;d15s19;s20;s18;s11;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H10F2NO2- |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -30.7672 |
Area: | 484.876 |
Solvation: | -42.8891 |
Coulombic: | -16.5991 |
Bond Count [?]
All: | 28 |
Single: | 17 |
Double: | 11 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 334.296 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.88 |
LogP (Chemaxon): | 5.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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