ChemDB: Chemical Search
Download
Chemical ID: 7063122
Chemical ID:
7063122
Name [?]:
None
SMILES [?]:
c1ccc(cc1)S(=O)(=O)N2CCc3cccc4c3C2CC4
InChi [?]:
InChI=1/C17H17NO2S/c19-21(20,15-7-2-1-3-8-15)18-12-11-14-6-4-5-13-9-10-16(18)17(13)14/h1-8,16H,9-12H2
InChi Info:
AuxInfo=1/0/N:1,2,6,15,16,14,3,5,21,20,12,11,17,13,4,19,18,10,8,9,7/E:(2,3)(7,8)(19,20)/CRV:21.6/rA:21cCCCCCCSOONCCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;d7;s7;s10;s11;s12;s13;d14;s15;d16;d13s17;s10s18;s19;s17s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17NO2S |
All Atoms: | 38 |
Heavy Atoms: | 21 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.96465 |
Area: | 435.839 |
Solvation: | -1.93133 |
Coulombic: | -9.88351 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 299.388 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.97 |
LogP (Chemaxon): | 3.38 |
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 |
---|