Chemical ID: 6706222

c1ccc2c(c1)ccc3c2c(cc(n3)c4ccccc4F)C(=O)[O-]
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

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Descriptor Annotations

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