Chemical ID: 6427471

Cc1cc(cc(c1N(C)C)C)C(=O)O
Chemical ID:
6427471
Name [?]:
4-dimethylamino-3,5-dimethyl-benzoic acid
SMILES [?]:
Cc1cc(cc(c1N(C)C)C)C(=O)O
InChi [?]:
InChI=1/C11H15NO2/c1-7-5-9(11(13)14)6-8(2)10(7)12(3)4/h5-6H,1-4H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,11,9,10,3,5,2,6,4,7,12,8,13,14/E:(1,2)(3,4)(5,6)(7,8)(13,14)/rA:14nCCCCCCCNCCCCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s8;s6;s4;d12;s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H15NO2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:7.11236
Area:360.566
Solvation:-1.9018
Coulombic:-33.9851
Bond Count [?]
All:14
Single:10
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:193.242
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.3
LogP (Chemaxon):2.01

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