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Chemical ID: 3990645
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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