ChemDB: Chemical Search
Download
Chemical ID: 4265895
Chemical ID:
4265895
Name [?]:
(3-hexyl-4-phenyl-thiazol-2-ylidene)-phenyl-ammonium
SMILES [?]:
CCCCCCn1c(csc1=[NH+]c2ccccc2)c3ccccc3
InChi [?]:
InChI=1/C21H24N2S/c1-2-3-4-11-16-23-20(18-12-7-5-8-13-18)17-24-21(23)22-19-14-9-6-10-15-19/h5-10,12-15,17H,2-4,11,16H2,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,2,3,4,22,16,21,23,15,17,5,20,24,14,18,6,9,19,13,8,11,12,7,10/E:(7,8)(9,10)(12,13)(14,15)/rA:24nCCCCCCNCCSCN+CCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;s7s10;w11;s12;s13;d14;s15;d16;d13s17;s8;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H25N2S+ |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -14.8415 |
Area: | 565.788 |
Solvation: | -28.9862 |
Coulombic: | -6.4456 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 337.503 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 7.4 |
LogP (Chemaxon): | 7.13 |
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 |
---|