ChemDB: Chemical Search
Download
Chemical ID: 5273625
Chemical ID:
5273625
Name [?]:
None
SMILES [?]:
Cc1cc2c(cc1C)oc3c(c2=O)C(N(C3=O)Cc4ccco4)c5cc(c(c(c5)OC)OC)OC
InChi [?]:
InChI=1/C27H25NO7/c1-14-9-18-19(10-15(14)2)35-26-22(24(18)29)23(28(27(26)30)13-17-7-6-8-34-17)16-11-20(31-3)25(33-5)21(12-16)32-4/h6-12,23H,13H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,8,31,35,33,21,20,22,3,6,29,25,18,2,7,24,19,4,5,28,26,11,14,12,27,10,16,15,13,17,30,34,32,23,9/E:(3,4)(11,12)(20,21)(31,32)/rA:35cCCCCCCCCOCCCOCNCOCCCCCOCCCCCCOCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s4s11;d12;s11;s14;s10s15;d16;s15;s18;d19;s20;d21;s19s22;s14;s24;d25;s26;d27;d24s28;s28;s30;s27;s32;s26;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H25NO7 |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.76909 |
Area: | 642.983 |
Solvation: | -8.30548 |
Coulombic: | -62.2392 |
Bond Count [?]
All: | 39 |
Single: | 28 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 475.49 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 3.04 |
LogP (Chemaxon): | 3.56 |
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 |
---|