ChemDB: Chemical Search
Download
Chemical ID: 7706088
Chemical ID:
7706088
Name [?]:
None
SMILES [?]:
CC(C(=O)NN=Cc1ccc(c(c1)OC)OCc2ccc(cc2)Cl)Oc3ccc(cc3)c4ccccc4
InChi [?]:
InChI=1/C30H27ClN2O4/c1-21(37-27-15-11-25(12-16-27)24-6-4-3-5-7-24)30(34)33-32-19-23-10-17-28(29(18-23)35-2)36-20-22-8-13-26(31)14-9-22/h3-19,21H,20H2,1-2H3,(H,33,34)
InChi Info:
AuxInfo=1/1/N:1,15,35,34,36,33,37,19,23,9,28,30,20,22,27,31,10,13,7,17,2,18,8,32,29,21,26,11,12,3,24,6,5,4,14,16,25/E:(4,5)(6,7)(8,9)(11,12)(13,14)(15,16)/rA:37cCCCONNCCCCCCCOCOCCCCCCCClOCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;w6;s7;s8;d9;s10;d11;d8s12;s12;s14;s11;s16;s17;s18;d19;s20;d21;d18s22;s21;s2;s25;s26;d27;s28;d29;d26s30;s29;s32;d33;s34;d35;d32s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H27ClN2O4 |
All Atoms: | 64 |
Heavy Atoms: | 37 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.1075 |
Area: | 810.41 |
Solvation: | -9.15272 |
Coulombic: | -43.8531 |
Bond Count [?]
All: | 40 |
Single: | 26 |
Double: | 14 |
Rotors: | 11 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 8.04 |
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 |
---|