ChemDB: Chemical Search
Download
Chemical ID: 7063110
Chemical ID:
7063110
Name [?]:
None
SMILES [?]:
Cc1cccc(c1)S(=O)(=O)N2CCc3cccc4c3C2CC4
InChi [?]:
InChI=1/C18H19NO2S/c1-13-4-2-7-16(12-13)22(20,21)19-11-10-15-6-3-5-14-8-9-17(19)18(14)15/h2-7,12,17H,8-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,16,3,17,15,5,22,21,13,12,7,2,18,14,6,20,19,11,9,10,8/E:(20,21)/CRV:22.6/rA:22cCCCCCCCSOONCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;d8;s8;s11;s12;s13;s14;d15;s16;d17;d14s18;s11s19;s20;s18s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19NO2S |
All Atoms: | 41 |
Heavy Atoms: | 22 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 9.51697 |
Area: | 457.453 |
Solvation: | -1.91935 |
Coulombic: | -9.67501 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 313.415 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.41 |
LogP (Chemaxon): | 3.85 |
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 |
---|