ChemDB: Chemical Search
Download
Chemical ID: 5062092
Chemical ID:
5062092
Name [?]:
None
SMILES [?]:
COc1cc2c3cc(c(cc3c4c(c2cc1OC)CC5CCCN5C4)OC)OC
InChi [?]:
InChI=1/C24H27NO4/c1-26-21-9-16-15-8-14-6-5-7-25(14)13-20(15)19-12-24(29-4)23(28-3)11-18(19)17(16)10-22(21)27-2/h9-12,14H,5-8,13H2,1-4H3
InChi Info:
AuxInfo=1/0/N:18,1,29,27,22,21,23,19,15,4,7,10,25,20,13,14,5,6,11,12,16,3,8,9,24,17,2,28,26/rA:29cCOCCCCCCCCCCCCCCOCCCCCCNCOCOC/rB:s1;s2;s3;d4;s5;s6;d7;s8;d9;d6s10;s11;d12;s5s13;d14;d3s15;s16;s17;s13;s19;s20;s21;s22;s20s23;s12s24;s9;s26;s8;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H27NO4 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 6.00919 |
Area: | 577.753 |
Solvation: | -8.43462 |
Coulombic: | -32.1925 |
Bond Count [?]
All: | 33 |
Single: | 26 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 393.476 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 3.82 |
LogP (Chemaxon): | 3.3 |
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 |
---|