ChemDB: Chemical Search
Download
Chemical ID: 6494218
Chemical ID:
6494218
Name [?]:
None
SMILES [?]:
c1ccc(cc1)S(=NC(=O)c2ccco2)c3ccccc3
InChi [?]:
InChI=1/C17H13NO2S/c19-17(16-12-7-13-20-16)18-21(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-13H
InChi Info:
AuxInfo=1/0/N:1,19,2,6,18,20,13,3,5,17,21,12,14,4,16,11,9,8,10,15,7/E:(1,2)(3,4,5,6)(8,9,10,11)(14,15)/rA:21nCCCCCCSNCOCCCCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;d9;s9;d11;s12;d13;s11s14;s7;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H13NO2S |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.67577 |
Area: | 480.311 |
Solvation: | -2.33201 |
Coulombic: | -26.8425 |
Bond Count [?]
All: | 23 |
Single: | 13 |
Double: | 10 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 295.357 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.36 |
LogP (Chemaxon): | 3.23 |
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 |
---|