ChemDB: Chemical Search
Download
Chemical ID: 7703825
Chemical ID:
7703825
Name [?]:
None
SMILES [?]:
c1cc(cc(c1)OC(=O)c2ccc(cc2Cl)Cl)C=NNC(=O)COc3ccc(cc3)[N+](=O)[O-]
InChi [?]:
InChI=1/C22H15Cl2N3O6/c23-15-4-9-19(20(24)11-15)22(29)33-18-3-1-2-14(10-18)12-25-26-21(28)13-32-17-7-5-16(6-8-17)27(30)31/h1-12H,13H2,(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,2,6,12,27,29,26,30,11,4,14,18,23,3,13,28,25,5,10,15,21,8,17,16,19,20,31,22,9,32,33,24,7/E:(5,6)(7,8)(30,31)/CRV:27.5/rA:33nCCCCCCOCOCCCCCCClClCNNCOCOCCCCCCN+OO-/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;d11;s12;d13;d10s14;s15;s13;s3;w18;s19;s20;d21;s21;s23;s24;s25;d26;s27;d28;d25s29;s28;d31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H15Cl2N3O6 |
All Atoms: | 48 |
Heavy Atoms: | 33 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 6.04288 |
Area: | 750.482 |
Solvation: | -12.7192 |
Coulombic: | -55.7454 |
Bond Count [?]
All: | 35 |
Single: | 22 |
Double: | 13 |
Rotors: | 10 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 6.19 |
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 |
---|