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Chemical ID: 6709811
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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Experimental Annotations
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Descriptor Annotations
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