ChemDB: Chemical Search
Download
Chemical ID: 7194837
Chemical ID:
7194837
Name [?]:
2-(3-chlorophenyl)ethyl-[(2-methoxyphenyl)methyl]ammonium
SMILES [?]:
COc1ccccc1C[NH2+]CCc2cccc(c2)Cl
InChi [?]:
InChI=1/C16H18ClNO/c1-19-16-8-3-2-6-14(16)12-18-10-9-13-5-4-7-15(17)11-13/h2-8,11,18H,9-10,12H2,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,6,5,15,14,7,16,4,12,11,18,9,13,8,17,3,19,10,2/rA:19nCOCCCCCCCN+CCCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;s12;s13;d14;s15;d16;d13s17;s17;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H19ClNO+ |
All Atoms: | 38 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -20.6233 |
Area: | 498.346 |
Solvation: | -33.0819 |
Coulombic: | 22.7098 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 276.781 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 3.94 |
LogP (Chemaxon): | 3.87 |
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 |
---|