ChemDB: Chemical Search
Download
Chemical ID: 7238299
Chemical ID:
7238299
Name [?]:
diethyl-[2-(2-hydroxy-2,2-diphenyl-acetyl)oxyethyl]ammonium
SMILES [?]:
CC[NH+](CC)CCOC(=O)C(c1ccccc1)(c2ccccc2)O
InChi [?]:
InChI=1/C20H25NO3/c1-3-21(4-2)15-16-24-19(22)20(23,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,23H,3-4,15-16H2,1-2H3/p+1
InChi Info:
AuxInfo=1/1/N:1,5,2,4,15,21,14,16,20,22,13,17,19,23,6,7,12,18,9,11,3,10,24,8/E:(1,2)(3,4)(5,6)(7,8,9,10)(11,12,13,14)(17,18)/rA:24nCCN+CCCCOCOCCCCCCCCCCCCCO/rB:s1;s2;s3;s4;s3;s6;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s11;s18;d19;s20;d21;d18s22;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H26NO3+ |
All Atoms: | 50 |
Heavy Atoms: | 24 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | -16.8108 |
Area: | 547.185 |
Solvation: | -30.4905 |
Coulombic: | -13.9012 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 9 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.44 |
LogP (Chemaxon): | None |
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 |
---|