Chemical ID: 7176976

COc1ccc2c(c1)c(c([nH]2)C(=O)O)C=O
Chemical ID:
7176976
Name [?]:
3-formyl-5-methoxy-1H-indole-2-carboxylic acid
SMILES [?]:
COc1ccc2c(c1)c(c([nH]2)C(=O)O)C=O
InChi [?]:
InChI=1/C11H9NO4/c1-16-6-2-3-9-7(4-6)8(5-13)10(12-9)11(14)15/h2-5,12H,1H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,4,5,8,15,3,7,9,6,10,12,11,16,13,14,2/E:(14,15)/rA:16nCOCCCCCCCCNCOOCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s6s10;s10;d12;s12;s9;d15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H9NO4
All Atoms:25
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:4.47505
Area:378.793
Solvation:-4.99477
Coulombic:-51.0661
Bond Count [?]
All:17
Single:11
Double:6
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:219.193
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.33
LogP (Chemaxon):1.15

Name Annotations

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Descriptor Annotations

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