Chemical ID: 3990645

c1ccc2c(c1)c(cc(n2)c3ccc(cc3)F)C(=O)O
Chemical ID:
3990645
Name [?]:
2-(4-fluorophenyl)quinoline-4-carboxylic acid
SMILES [?]:
c1ccc2c(c1)c(cc(n2)c3ccc(cc3)F)C(=O)O
InChi [?]:
InChI=1/C16H10FNO2/c17-11-7-5-10(6-8-11)15-9-13(16(19)20)12-3-1-2-4-14(12)18-15/h1-9H,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,12,16,13,15,8,11,14,5,7,4,9,18,17,10,19,20/E:(5,6)(7,8)(19,20)/rA:20nCCCCCCCCCNCCCCCCFCOO/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s9;s11;d12;s13;d14;d11s15;s14;s7;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H10FNO2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.08286
Area:435.308
Solvation:-2.79985
Coulombic:-38.4001
Bond Count [?]
All:22
Single:13
Double:9
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:267.255
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.93
LogP (Chemaxon):3.87

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Descriptor Annotations

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