ChemDB: Chemical Search
Download
Chemical ID: 7655689
Chemical ID:
7655689
Name [?]:
None
SMILES [?]:
c1cc(cc(c1)S(=O)(=O)N2CCN(CC2)Cc3c(cccc3Cl)Cl)[N+](=O)[O-]
InChi [?]:
InChI=1/C17H17Cl2N3O4S/c18-16-5-2-6-17(19)15(16)12-20-7-9-21(10-8-20)27(25,26)14-4-1-3-13(11-14)22(23)24/h1-6,11H,7-10,12H2
InChi Info:
AuxInfo=1/0/N:1,20,2,6,19,21,12,14,11,15,4,16,3,5,17,18,22,24,23,13,10,25,26,27,8,9,7/E:(5,6)(7,8)(9,10)(16,17)(18,19)(23,24)(25,26)/CRV:22.5,27.6/rA:27nCCCCCCSOONCCNCCCCCCCCCClClN+OO-/rB:s1;d2;s3;d4;d1s5;s5;d7;d7;s7;s10;s11;s12;s13;s10s14;s13;s16;s17;d18;s19;d20;d17s21;s22;s18;s3;d25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17Cl2N3O4S |
All Atoms: | 44 |
Heavy Atoms: | 27 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 6.95969 |
Area: | 601.492 |
Solvation: | -8.07761 |
Coulombic: | -24.5606 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.48 |
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 |
---|