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Chemical ID: 5147768
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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