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Chemical ID: 5133163
Chemical ID:
5133163
Name [?]:
6-methyl-1H-indole-2-carboxylic acid
SMILES [?]:
Cc1ccc2cc([nH]c2c1)C(=O)O
InChi [?]:
InChI=1/C10H9NO2/c1-6-2-3-7-5-9(10(12)13)11-8(7)4-6/h2-5,11H,1H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,3,4,10,6,2,5,9,7,11,8,12,13/E:(12,13)/rA:13nCCCCCCCNCCCOO/rB:s1;s2;d3;s4;s5;d6;s7;d5s8;d2s9;s7;d11;s11;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H9NO2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.78535 |
Area: | 336.868 |
Solvation: | -1.63636 |
Coulombic: | -40.1836 |
Bond Count [?]
All: | 14 |
Single: | 9 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 175.184 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.24 |
LogP (Chemaxon): | 2.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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