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Chemical ID: 6653428
Chemical ID:
6653428
Name [?]:
ethyl 2-styrylquinoline-3-carboxylate
SMILES [?]:
CCOC(=O)c1cc2ccccc2nc1C=Cc3ccccc3
InChi [?]:
InChI=1/C20H17NO2/c1-2-23-20(22)17-14-16-10-6-7-11-18(16)21-19(17)13-12-15-8-4-3-5-9-15/h3-14H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,21,20,22,10,11,19,23,9,12,17,16,7,18,8,6,13,15,4,14,5,3/E:(4,5)(8,9)/rA:23nCCOCOCCCCCCCCNCCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;s10;d11;s8s12;d13;d6s14;s15;w16;s17;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H17NO2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3547 |
Area: | 490.448 |
Solvation: | -1.90654 |
Coulombic: | -28.5593 |
Bond Count [?]
All: | 25 |
Single: | 15 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 303.355 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.78 |
LogP (Chemaxon): | 4.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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