Chemical ID: 5133126

CCOc1ccc2cc([nH]c2c1)C(=O)O
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

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Descriptor Annotations

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