Chemical ID: 7093317

CN(C)c1ccc2cc(oc2c1)C(=O)O
Chemical ID:
7093317
Name [?]:
6-dimethylaminobenzofuran-2-carboxylic acid
SMILES [?]:
CN(C)c1ccc2cc(oc2c1)C(=O)O
InChi [?]:
InChI=1/C11H11NO3/c1-12(2)8-4-3-7-5-10(11(13)14)15-9(7)6-8/h3-6H,1-2H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,3,6,5,8,12,7,4,11,9,13,2,14,15,10/E:(1,2)(13,14)/rA:15nCNCCCCCCCOCCCOO/rB:s1;s2;s2;s4;d5;s6;s7;d8;s9;d7s10;d4s11;s9;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H11NO3
All Atoms:26
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.79731
Area:375.828
Solvation:-2.5984
Coulombic:-42.425
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:1.9
LogP (Chemaxon):1.33

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