ChemDB: Chemical Search
Download
Chemical ID: 7686268
Chemical ID:
7686268
Name [?]:
None
SMILES [?]:
CC(=O)c1cc(c(c(c1O)C(c2ccccc2)c3ccccc3)O)C(c4ccccc4)c5ccccc5
InChi [?]:
InChI=1/C34H28O3/c1-23(35)28-22-29(30(24-14-6-2-7-15-24)25-16-8-3-9-17-25)34(37)32(33(28)36)31(26-18-10-4-11-19-26)27-20-12-5-13-21-27/h2-22,30-31,36-37H,1H3
InChi Info:
AuxInfo=1/0/N:1,29,35,15,21,28,30,34,36,14,16,20,22,27,31,33,37,13,17,19,23,5,2,26,32,12,18,4,6,25,11,8,9,7,3,10,24/E:(2,3)(4,5)(6,7,8,9)(10,11,12,13)(14,15,16,17)(18,19,20,21)(24,25)(26,27)/rA:37nCCOCCCCCCOCCCCCCCCCCCCCOCCCCCCCCCCCCC/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s9;s8;s11;s12;d13;s14;d15;d12s16;s11;s18;d19;s20;d21;d18s22;s7;s6;s25;s26;d27;s28;d29;d26s30;s25;s32;d33;s34;d35;d32s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C34H28O3 |
All Atoms: | 65 |
Heavy Atoms: | 37 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 12.0856 |
Area: | 687.157 |
Solvation: | -5.0933 |
Coulombic: | -44.7609 |
Bond Count [?]
All: | 41 |
Single: | 25 |
Double: | 16 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 8.32 |
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 |
---|