ChemDB: Chemical Search
Download
Chemical ID: 6831624
Chemical ID:
6831624
Name [?]:
(4-fluorophenyl)sulfonyl-phenyl-azanide
SMILES [?]:
c1ccc(cc1)[N-]S(=O)(=O)c2ccc(cc2)F
InChi [?]:
InChI=1/C12H9FNO2S/c13-10-6-8-12(9-7-10)17(15,16)14-11-4-2-1-3-5-11/h1-9H/q-1
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,13,15,12,16,14,4,11,17,7,9,10,8/E:(2,3)(4,5)(6,7)(8,9)(15,16)/CRV:14-1,17.6/rA:17nCCCCCCN-SOOCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;d8;s8;s11;d12;s13;d14;d11s15;s14;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H9FNO2S- |
All Atoms: | 26 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -24.2841 |
Area: | 405.032 |
Solvation: | -34.4099 |
Coulombic: | 20.9971 |
Bond Count [?]
All: | 18 |
Single: | 10 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 250.27 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.72 |
LogP (Chemaxon): | 2.75 |
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 |
---|