Chemical ID: 6291344

COc1ccc2c(c1)c(cc(n2)c3ccc(cc3)F)C(=O)O
Chemical ID:
6291344
Name [?]:
2-(4-fluorophenyl)-6-methoxy-quinoline-4-carboxylic acid
SMILES [?]:
COc1ccc2c(c1)c(cc(n2)c3ccc(cc3)F)C(=O)O
InChi [?]:
InChI=1/C17H12FNO3/c1-22-12-6-7-15-13(8-12)14(17(20)21)9-16(19-15)10-2-4-11(18)5-3-10/h2-9H,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,14,18,15,17,4,5,8,10,13,16,3,7,9,6,11,20,19,12,21,22,2/E:(2,3)(4,5)(20,21)/rA:22nCOCCCCCCCCCNCCCCCCFCOO/rB:s1;s2;s3;d4;s5;s6;d3s7;d7;s9;d10;d6s11;s11;s13;d14;s15;d16;d13s17;s16;s9;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H12FNO3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:7.55332
Area:473.365
Solvation:-4.2808
Coulombic:-44.1418
Bond Count [?]
All:24
Single:15
Double:9
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:297.281
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.85
LogP (Chemaxon):3.62

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Descriptor Annotations

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