Chemical ID: 6734725

CCn1cc(c(=O)c2c1cc(c(c2)F)F)C(=O)[O-]
Chemical ID:
6734725
Name [?]:
1-ethyl-6,7-difluoro-4-oxo-quinoline-3-carboxylate
SMILES [?]:
CCn1cc(c(=O)c2c1cc(c(c2)F)F)C(=O)[O-]
InChi [?]:
InChI=1/C12H9F2NO3/c1-2-15-5-7(12(17)18)11(16)6-3-8(13)9(14)4-10(6)15/h3-5H,2H2,1H3,(H,17,18)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,13,10,4,8,5,12,11,9,6,16,14,15,3,7,17,18/E:(17,18)/rA:18nCCNCCCOCCCCCCFFCOO-/rB:s1;s2;s3;d4;s5;d6;s6;s3s8;d9;s10;d11;d8s12;s12;s11;s5;d16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H8F2NO3-
All Atoms:26
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:-34.9804
Area:389.573
Solvation:-44.7198
Coulombic:-21.3414
Bond Count [?]
All:19
Single:13
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:252.194
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.89
LogP (Chemaxon):2.38

Name Annotations

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Descriptor Annotations

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