ChemDB: Chemical Search
Download
Chemical ID: 7707811
Chemical ID:
7707811
Name [?]:
None
SMILES [?]:
CCc1cccc(c1NS(=O)(=O)c2ccccc2C)C
InChi [?]:
InChI=1/C16H19NO2S/c1-4-14-10-7-9-13(3)16(14)17-20(18,19)15-11-6-5-8-12(15)2/h5-11,17H,4H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,19,20,2,16,15,5,17,6,4,14,18,7,3,13,8,9,11,12,10/E:(18,19)/CRV:20.6/rA:20nCCCCCCCCNSOOCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s18;s7;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H19NO2S |
All Atoms: | 39 |
Heavy Atoms: | 20 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.07429 |
Area: | 435.436 |
Solvation: | -1.81161 |
Coulombic: | -14.4397 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.86 |
LogP (Chemaxon): | None |
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 |
---|