ChemDB: Chemical Search
Download
Chemical ID: 7702339
Chemical ID:
7702339
Name [?]:
None
SMILES [?]:
c1cc(cc(c1)OC(=O)c2ccc(cc2Cl)Cl)C=NNC(=O)c3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C21H12Cl4N2O3/c22-13-4-6-16(18(24)9-13)20(28)27-26-11-12-2-1-3-15(8-12)30-21(29)17-7-5-14(23)10-19(17)25/h1-11H,(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,2,6,25,12,24,11,4,27,14,18,3,26,13,5,23,10,28,15,21,8,30,17,29,16,19,20,22,9,7/rA:30nCCCCCCOCOCCCCCCClClCNNCOCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;d11;s12;d13;d10s14;s15;s13;s3;w18;s19;s20;d21;s21;s23;d24;s25;d26;d23s27;s28;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H12Cl4N2O3 |
All Atoms: | 42 |
Heavy Atoms: | 30 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 13.1336 |
Area: | 712.632 |
Solvation: | -4.68221 |
Coulombic: | -40.2329 |
Bond Count [?]
All: | 32 |
Single: | 20 |
Double: | 12 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 7.98 |
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 |
---|