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Chemical ID: 6427471
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
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Experimental Annotations
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Descriptor Annotations
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