ChemDB: Chemical Search
Download
Chemical ID: 7701473
Chemical ID:
7701473
Name [?]:
None
SMILES [?]:
c1ccc(c(c1)C(=O)Oc2ccc(cc2)C=NNC(=O)c3ccc(cc3)OCc4ccc(cc4)Cl)Cl
InChi [?]:
InChI=1/C28H20Cl2N2O4/c29-22-11-5-20(6-12-22)18-35-23-15-9-21(10-16-23)27(33)32-31-17-19-7-13-24(14-8-19)36-28(34)25-3-1-2-4-26(25)30/h1-17H,18H2,(H,32,33)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,30,34,12,14,22,26,31,33,11,15,23,25,16,28,13,29,21,32,24,10,5,4,19,7,35,36,17,18,20,8,27,9/E:(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/rA:36nCCCCCCCOOCCCCCCCNNCOCCCCCCOCCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;d11;s12;d13;d10s14;s13;w16;s17;s18;d19;s19;s21;d22;s23;d24;d21s25;s24;s27;s28;s29;d30;s31;d32;d29s33;s32;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H20Cl2N2O4 |
All Atoms: | 56 |
Heavy Atoms: | 36 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 14.3104 |
Area: | 805.003 |
Solvation: | -5.8147 |
Coulombic: | -49.9222 |
Bond Count [?]
All: | 39 |
Single: | 24 |
Double: | 15 |
Rotors: | 10 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 8.36 |
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 |
---|