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Chemical ID: 4713776
Chemical ID:
4713776
Name [?]:
ethyl 4-hydroxy-8-methoxy-quinoline-3-carboxylate
SMILES [?]:
CCOC(=O)c1cnc2c(c1O)cccc2OC
InChi [?]:
InChI=1/C13H13NO4/c1-3-18-13(16)9-7-14-11-8(12(9)15)5-4-6-10(11)17-2/h4-7H,3H2,1-2H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,18,2,14,13,15,7,10,6,16,9,11,4,8,12,5,17,3/rA:18nCCOCOCCNCCCOCCCCOC/rB:s1;s2;s3;d4;s4;s6;d7;s8;s9;d6s10;s11;d10;s13;d14;d9s15;s16;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H13NO4 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.21364 |
Area: | 425.649 |
Solvation: | -4.42759 |
Coulombic: | -47.3586 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 247.247 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.98 |
LogP (Chemaxon): | 2.14 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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