Chemical ID: 6709811

COc1ccc2c(c1)cc([nH]2)C(=O)[O-]
Chemical ID:
6709811
Name [?]:
5-methoxy-1H-indole-2-carboxylate
SMILES [?]:
COc1ccc2c(c1)cc([nH]2)C(=O)[O-]
InChi [?]:
InChI=1/C10H9NO3/c1-14-7-2-3-8-6(4-7)5-9(11-8)10(12)13/h2-5,11H,1H3,(H,12,13)/p-1
InChi Info:
AuxInfo=1/1/N:1,4,5,8,9,7,3,6,10,12,11,13,14,2/E:(12,13)/rA:14nCOCCCCCCCCNCOO-/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s6s10;s10;d12;s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H8NO3-
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:-35.2897
Area:352.929
Solvation:-44.113
Coulombic:-19.8561
Bond Count [?]
All:15
Single:10
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:190.175
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.24
LogP (Chemaxon):1.48

Name Annotations

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Descriptor Annotations

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