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Chemical ID: 5133126
Chemical ID:
5133126
Name [?]:
6-ethoxy-1H-indole-2-carboxylic acid
SMILES [?]:
CCOc1ccc2cc([nH]c2c1)C(=O)O
InChi [?]:
InChI=1/C11H11NO3/c1-2-15-8-4-3-7-5-10(11(13)14)12-9(7)6-8/h3-6,12H,2H2,1H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,6,5,8,12,7,4,11,9,13,10,14,15,3/E:(13,14)/rA:15nCCOCCCCCCNCCCOO/rB:s1;s2;s3;s4;d5;s6;s7;d8;s9;d7s10;d4s11;s9;d13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H11NO3 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.68714 |
Area: | 380.651 |
Solvation: | -2.82913 |
Coulombic: | -46.7969 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 205.21 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.14 |
LogP (Chemaxon): | 1.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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