ChemDB: Chemical Search
Download
Chemical ID: 7090867
Chemical ID:
7090867
Name [?]:
1-(p-tolylamino)cyclohexane-1-carboxylic acid
SMILES [?]:
Cc1ccc(cc1)NC2(CCCCC2)C(=O)O
InChi [?]:
InChI=1/C14H19NO2/c1-11-5-7-12(8-6-11)15-14(13(16)17)9-3-2-4-10-14/h5-8,15H,2-4,9-10H2,1H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,12,11,13,3,7,4,6,10,14,2,5,15,9,8,16,17/E:(3,4)(5,6)(7,8)(9,10)(16,17)/rA:17nCCCCCCCNCCCCCCCOO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s11;s12;s9s13;s9;d15;s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H19NO2 |
All Atoms: | 36 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.33665 |
Area: | 403.336 |
Solvation: | -1.74676 |
Coulombic: | -41.1253 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 233.306 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 3.07 |
LogP (Chemaxon): | 2.12 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|