ChemDB: Chemical Search
Download
Chemical ID: 6351372
Chemical ID:
6351372
Name [?]:
6-(4-benzylpiperazin-1-yl)carbonylcyclohex-3-ene-1-carboxylic acid
SMILES [?]:
c1ccc(cc1)CN2CCN(CC2)C(=O)C3CC=CCC3C(=O)O
InChi [?]:
InChI=1/C19H24N2O3/c22-18(16-8-4-5-9-17(16)19(23)24)21-12-10-20(11-13-21)14-15-6-2-1-3-7-15/h1-7,16-17H,8-14H2,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,6,18,19,3,5,17,20,9,13,10,12,7,4,16,21,14,22,8,11,15,23,24/E:(2,3)(6,7)(10,11)(12,13)(23,24)/rA:24cCCCCCCCNCCNCCCOCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s8s12;s11;d14;s14;s16;s17;d18;s19;s16s20;s21;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H24N2O3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 9.2356 |
Area: | 516.934 |
Solvation: | -3.68774 |
Coulombic: | -47.9071 |
Bond Count [?]
All: | 26 |
Single: | 20 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 328.406 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.44 |
LogP (Chemaxon): | -0.59 |
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 |
---|