Chemical ID: 5146524

CCOc1ccc(cc1)c2cc(c3cccc(c3n2)Cl)C(=O)O
Chemical ID:
5146524
Name [?]:
8-chloro-2-(4-ethoxyphenyl)-quinoline-4-carboxylic acid
SMILES [?]:
CCOc1ccc(cc1)c2cc(c3cccc(c3n2)Cl)C(=O)O
InChi [?]:
InChI=1/C18H14ClNO3/c1-2-23-12-8-6-11(7-9-12)16-10-14(18(21)22)13-4-3-5-15(19)17(13)20-16/h3-10H,2H2,1H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,15,14,16,6,8,5,9,11,7,4,13,12,17,10,18,21,20,19,22,23,3/E:(6,7)(8,9)(21,22)/rA:23nCCOCCCCCCCCCCCCCCCNClCOO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s12;s13;d14;s15;d16;d13s17;d10s18;s17;s12;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14ClNO3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.84576
Area:522.471
Solvation:-3.21603
Coulombic:-42.2334
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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