Chemical ID: 5147768

CCOc1cccc(c1)c2cc(c3cc(ccc3n2)Cl)C(=O)O
Chemical ID:
5147768
Name [?]:
6-chloro-2-(3-ethoxyphenyl)-quinoline-4-carboxylic acid
SMILES [?]:
CCOc1cccc(c1)c2cc(c3cc(ccc3n2)Cl)C(=O)O
InChi [?]:
InChI=1/C18H14ClNO3/c1-2-23-13-5-3-4-11(8-13)17-10-15(18(21)22)14-9-12(19)6-7-16(14)20-17/h3-10H,2H2,1H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,7,5,16,17,9,14,11,8,15,4,13,12,18,10,21,20,19,22,23,3/E:(21,22)/rA:23nCCOCCCCCCCCCCCCCCCNClCOO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s10;d11;s12;s13;d14;s15;d16;d13s17;d10s18;s15;s12;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14ClNO3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.92249
Area:527.431
Solvation:-3.26328
Coulombic:-41.6558
Bond Count [?]
All:25
Single:16
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:327.761
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.73
LogP (Chemaxon):4.34

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Descriptor Annotations

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