ChemDB: Chemical Search
Download
Chemical ID: 7707092
Chemical ID:
7707092
Name [?]:
None
SMILES [?]:
CCOc1cc(ccc1OCc2ccc(cc2)Cl)C=NNC(=O)C(C)Oc3ccc4ccccc4c3
InChi [?]:
InChI=1/C29H27ClN2O4/c1-3-34-28-16-22(10-15-27(28)35-19-21-8-12-25(30)13-9-21)18-31-32-29(33)20(2)36-26-14-11-23-6-4-5-7-24(23)17-26/h4-18,20H,3,19H2,1-2H3,(H,32,33)
InChi Info:
AuxInfo=1/1/N:1,25,2,32,33,31,34,13,17,7,29,14,16,28,8,5,36,19,11,24,12,6,30,35,15,27,9,4,22,18,20,21,23,3,10,26/E:(8,9)(12,13)/rA:36cCCOCCCCCCOCCCCCCCClCNNCOCCOCCCCCCCCCC/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;s24;s26;s27;d28;s29;s30;d31;s32;d33;d30s34;d27s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H27ClN2O4 |
All Atoms: | 63 |
Heavy Atoms: | 36 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.7056 |
Area: | 781.089 |
Solvation: | -8.82162 |
Coulombic: | -43.4178 |
Bond Count [?]
All: | 39 |
Single: | 26 |
Double: | 13 |
Rotors: | 11 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 7.78 |
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 |
---|