Chemical ID: 5133163

Cc1ccc2cc([nH]c2c1)C(=O)O
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue