Chemical ID: 5149397

c1ccc2c(c1)c(cc(n2)c3ccc(cc3)C(F)(F)F)C(=O)O
Chemical ID:
5149397
Name [?]:
2-[4-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid
SMILES [?]:
c1ccc2c(c1)c(cc(n2)c3ccc(cc3)C(F)(F)F)C(=O)O
InChi [?]:
InChI=1/C17H10F3NO2/c18-17(19,20)11-7-5-10(6-8-11)15-9-13(16(22)23)12-3-1-2-4-14(12)21-15/h1-9H,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,12,16,13,15,8,11,14,5,7,4,9,21,17,18,19,20,10,22,23/E:(5,6)(7,8)(18,19,20)(22,23)/rA:23nCCCCCCCCCNCCCCCCCFFFCOO/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s9;s11;d12;s13;d14;d11s15;s14;s17;s17;s17;s7;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H10F3NO2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.17206
Area:473.693
Solvation:-2.67028
Coulombic:-53.6455
Bond Count [?]
All:25
Single:16
Double:9
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:317.262
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.69
LogP (Chemaxon):4.62

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