ChemDB: Chemical Search
Download
Chemical ID: 7063141
Chemical ID:
7063141
Name [?]:
None
SMILES [?]:
CN1CCc2cccc3c2C1CC3NS(=O)(=O)c4ccccc4
InChi [?]:
InChI=1/C18H20N2O2S/c1-20-11-10-13-6-5-9-15-16(12-17(20)18(13)15)19-23(21,22)14-7-3-2-4-8-14/h2-9,16-17,19H,10-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,21,20,22,7,6,19,23,8,4,3,12,5,18,9,13,11,10,14,2,16,17,15/E:(3,4)(7,8)(21,22)/CRV:23.6/rA:23cCNCCCCCCCCCCCNSOOCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s2s10;s11;s9s12;s13;s14;d15;d15;s15;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H20N2O2S |
All Atoms: | 43 |
Heavy Atoms: | 23 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 9.77219 |
Area: | 492.463 |
Solvation: | -2.5394 |
Coulombic: | -18.9275 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 328.43 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.53 |
LogP (Chemaxon): | 2.59 |
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 |
---|