ChemDB: Chemical Search
Download
Chemical ID: 7707438
Chemical ID:
7707438
Name [?]:
None
SMILES [?]:
Cc1cccc(c1)C(=O)Oc2ccc(cc2)C=NNC(=O)C(C)Oc3ccc(cc3)c4ccccc4
InChi [?]:
InChI=1/C30H26N2O4/c1-21-7-6-10-26(19-21)30(34)36-28-15-11-23(12-16-28)20-31-32-29(33)22(2)35-27-17-13-25(14-18-27)24-8-4-3-5-9-24/h3-20,22H,1-2H3,(H,32,33)
InChi Info:
AuxInfo=1/1/N:1,23,34,33,35,4,3,32,36,5,13,15,27,29,12,16,26,30,7,17,2,22,14,31,28,6,25,11,20,8,18,19,21,9,24,10/E:(4,5)(8,9)(11,12)(13,14)(15,16)(17,18)/rA:36cCCCCCCCCOOCCCCCCCNNCOCCOCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;s11;d12;s13;d14;d11s15;s14;w17;s18;s19;d20;s20;s22;s22;s24;s25;d26;s27;d28;d25s29;s28;s31;d32;s33;d34;d31s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H26N2O4 |
All Atoms: | 62 |
Heavy Atoms: | 36 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 13.0551 |
Area: | 763.205 |
Solvation: | -6.02499 |
Coulombic: | -49.7695 |
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: | 8.08 |
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 |
---|