Chemical ID: 5147786

COc1ccc(cc1OC)c2cc(c3cc(ccc3n2)Cl)C(=O)O
Chemical ID:
5147786
Name [?]:
6-chloro-2-(3,4-dimethoxyphenyl)-quinoline-4-carboxylic acid
SMILES [?]:
COc1ccc(cc1OC)c2cc(c3cc(ccc3n2)Cl)C(=O)O
InChi [?]:
InChI=1/C18H14ClNO4/c1-23-16-6-3-10(7-17(16)24-2)15-9-13(18(21)22)12-8-11(19)4-5-14(12)20-15/h3-9H,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,10,5,17,18,4,7,15,12,6,16,14,13,19,11,3,8,22,21,20,23,24,2,9/E:(21,22)/rA:24nCOCCCCCCOCCCCCCCCCCNClCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;d12;s13;s14;d15;s16;d17;d14s18;d11s19;s16;s13;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14ClNO4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:8.00373
Area:536.288
Solvation:-5.40346
Coulombic:-47.5743
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:3.95
LogP (Chemaxon):3.75

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Descriptor Annotations

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