ChemDB: Chemical Search
Download
Chemical ID: 7080463
Chemical ID:
7080463
Name [?]:
None
SMILES [?]:
COCCCN1C(c2c(=O)c3ccccc3oc2C1=O)c4cc(c(c(c4)OC)OC)OC
InChi [?]:
InChI=1/C24H25NO7/c1-28-11-7-10-25-20(14-12-17(29-2)22(31-4)18(13-14)30-3)19-21(26)15-8-5-6-9-16(15)32-23(19)24(25)27/h5-6,8-9,12-13,20H,7,10-11H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,28,32,30,13,14,4,12,15,5,3,26,22,21,11,16,25,23,8,7,9,24,18,19,6,10,20,2,27,31,29,17/E:(2,3)(12,13)(17,18)(29,30)/rA:32cCOCCCNCCCOCCCCCCOCCOCCCCCCOCOCOC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;d8s17;s6s18;d19;s7;s21;d22;s23;d24;d21s25;s25;s27;s24;s29;s23;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H25NO7 |
All Atoms: | 57 |
Heavy Atoms: | 32 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.16126 |
Area: | 657.788 |
Solvation: | -9.28344 |
Coulombic: | -63.2208 |
Bond Count [?]
All: | 35 |
Single: | 26 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 439.458 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 7 |
XLogP: | 1.93 |
LogP (Chemaxon): | 1.79 |
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 |
---|