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Chemical ID: 4122242
Chemical ID:
4122242
Name [?]:
7-methoxy-3-methyl-1H-indole-2-carboxylic acid
SMILES [?]:
Cc1c2cccc(c2[nH]c1C(=O)O)OC
InChi [?]:
InChI=1/C11H11NO3/c1-6-7-4-3-5-8(15-2)10(7)12-9(6)11(13)14/h3-5,12H,1-2H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,15,5,4,6,2,3,7,10,8,11,9,12,13,14/E:(13,14)/rA:15nCCCCCCCCNCCOOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d2s9;s10;d11;s11;s7;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H11NO3 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.18968 |
Area: | 366.433 |
Solvation: | -2.97114 |
Coulombic: | -47.4167 |
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: | 1.86 |
LogP (Chemaxon): | 1.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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