Chemical ID: 4122242

Cc1c2cccc(c2[nH]c1C(=O)O)OC
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

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Descriptor Annotations

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