ChemDB: Chemical Search
Download
Chemical ID: 7698990
Chemical ID:
7698990
Name [?]:
None
SMILES [?]:
Cc1ccccc1S(=O)(=O)Nc2cc(ccc2O)Cl
InChi [?]:
InChI=1/C13H12ClNO3S/c1-9-4-2-3-5-13(9)19(17,18)15-11-8-10(14)6-7-12(11)16/h2-8,15-16H,1H3
InChi Info:
AuxInfo=1/0/N:1,4,5,3,6,15,16,13,2,14,12,17,7,19,11,18,9,10,8/E:(17,18)/CRV:19.6/rA:19nCCCCCCCSOONCCCCCCOCl/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;s17;s14;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H12ClNO3S |
All Atoms: | 31 |
Heavy Atoms: | 19 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.55889 |
Area: | 439.763 |
Solvation: | -2.43519 |
Coulombic: | -30.0546 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.59 |
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 |
---|