Chemical ID: 5133123

CCOc1cccc2c1cc([nH]2)C(=O)O
Chemical ID:
5133123
Name [?]:
4-ethoxy-1H-indole-2-carboxylic acid
SMILES [?]:
CCOc1cccc2c1cc([nH]2)C(=O)O
InChi [?]:
InChI=1/C11H11NO3/c1-2-15-10-5-3-4-8-7(10)6-9(12-8)11(13)14/h3-6,12H,2H2,1H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,6,7,5,10,9,8,11,4,13,12,14,15,3/E:(13,14)/rA:15nCCOCCCCCCCCNCOO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;d10;s8s11;s11;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H11NO3
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.75662
Area:380.337
Solvation:-2.75181
Coulombic:-47.1895
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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