Chemical ID: 6704339

c1ccc2c(c1)ccc3c2c(cc(n3)c4ccc(cc4F)F)C(=O)[O-]
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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Descriptor Annotations

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