ChemDB: Chemical Search
Download
Chemical ID: 7708047
Chemical ID:
7708047
Name [?]:
None
SMILES [?]:
CCOc1cc(ccc1OCc2ccc(cc2)Cl)C=NNC(=O)COc3ccc(cc3)c4ccccc4
InChi [?]:
InChI=1/C30H27ClN2O4/c1-2-35-29-18-23(10-17-28(29)37-20-22-8-13-26(31)14-9-22)19-32-33-30(34)21-36-27-15-11-25(12-16-27)24-6-4-3-5-7-24/h3-19H,2,20-21H2,1H3,(H,33,34)
InChi Info:
AuxInfo=1/1/N:1,2,35,34,36,33,37,13,17,7,28,30,14,16,27,31,8,5,19,11,24,12,6,32,29,15,26,9,4,22,18,20,21,23,3,25,10/E:(4,5)(6,7)(8,9)(11,12)(13,14)(15,16)/rA:37nCCOCCCCCCOCCCCCCCClCNNCOCOCCCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s15;s6;w19;s20;s21;d22;s22;s24;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: | 11.3149 |
Area: | 831.736 |
Solvation: | -9.47849 |
Coulombic: | -43.0909 |
Bond Count [?]
All: | 40 |
Single: | 26 |
Double: | 14 |
Rotors: | 12 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 7.93 |
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 |
---|