Chemical ID: 5147788

COc1ccc(c(c1)c2cc(c3cc(ccc3n2)Cl)C(=O)O)OC
Chemical ID:
5147788
Name [?]:
6-chloro-2-(2,5-dimethoxyphenyl)-quinoline-4-carboxylic acid
SMILES [?]:
COc1ccc(c(c1)c2cc(c3cc(ccc3n2)Cl)C(=O)O)OC
InChi [?]:
InChI=1/C18H14ClNO4/c1-23-11-4-6-17(24-2)14(8-11)16-9-13(18(21)22)12-7-10(19)3-5-15(12)20-16/h3-9H,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,24,15,4,16,5,13,8,10,14,3,12,11,7,17,9,6,20,19,18,21,22,2,23/E:(21,22)/rA:24nCOCCCCCCCCCCCCCCCNClCOOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s11;s12;d13;s14;d15;d12s16;d9s17;s14;s11;d20;s20;s6;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14ClNO4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:8.13289
Area:526.053
Solvation:-5.01842
Coulombic:-46.5026
Bond Count [?]
All:26
Single:17
Double:9
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:343.761
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.22
LogP (Chemaxon):3.75

Name Annotations

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Descriptor Annotations

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