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Chemical ID: 5266533
Chemical ID:
5266533
Name [?]:
5,8-dimethoxy-4-methyl-quinoline
SMILES [?]:
Cc1ccnc2c1c(ccc2OC)OC
InChi [?]:
InChI=1/C12H13NO2/c1-8-6-7-13-12-10(15-3)5-4-9(14-2)11(8)12/h4-7H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,15,13,9,10,3,4,2,8,11,7,6,5,14,12/rA:15nCCCCNCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s9;s6d10;s11;s12;s8;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H13NO2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.96957 |
Area: | 359.519 |
Solvation: | -4.0184 |
Coulombic: | -19.3417 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 203.237 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.39 |
LogP (Chemaxon): | 2.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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