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Chemical ID: 4949086
Chemical ID:
4949086
Name [?]:
ethyl 6-methoxyquinoline-4-carboxylate
SMILES [?]:
CCOC(=O)c1ccnc2c1cc(cc2)OC
InChi [?]:
InChI=1/C13H13NO3/c1-3-17-13(15)10-6-7-14-12-5-4-9(16-2)8-11(10)12/h4-8H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,17,2,14,15,7,8,12,13,6,11,10,4,9,5,16,3/rA:17nCCOCOCCCNCCCCCCOC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s11;d12;s13;s10d14;s13;s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H13NO3 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.10232 |
Area: | 410.809 |
Solvation: | -3.16791 |
Coulombic: | -31.7825 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 231.247 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.4 |
LogP (Chemaxon): | 1.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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