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Chemical ID: 7093515
Chemical ID:
7093515
Name [?]:
6-methoxy-1-methyl-indole-2-carboxylic acid
SMILES [?]:
Cn1c2cc(ccc2cc1C(=O)O)OC
InChi [?]:
InChI=1/C11H11NO3/c1-12-9-6-8(15-2)4-3-7(9)5-10(12)11(13)14/h3-6H,1-2H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,15,7,6,9,4,8,5,3,10,11,2,12,13,14/E:(13,14)/rA:15nCNCCCCCCCCCOOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s2d9;s10;d11;s11;s5;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H11NO3 |
All Atoms: | 26 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.18536 |
Area: | 366.277 |
Solvation: | -2.97156 |
Coulombic: | -41.8001 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 205.21 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.02 |
LogP (Chemaxon): | 1.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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