Chemical ID: 7093515

Cn1c2cc(ccc2cc1C(=O)O)OC
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

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Descriptor Annotations

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