ChemDB: Chemical Search
Download
Chemical ID: 7461803
Chemical ID:
7461803
Name [?]:
None
SMILES [?]:
COc1ccc(cc1)CCN2C(c3c(=O)c4ccccc4oc3C2=O)c5cccc(c5)N(=O)=O
InChi [?]:
InChI=1/C26H20N2O6/c1-33-19-11-9-16(10-12-19)13-14-27-23(17-5-4-6-18(15-17)28(31)32)22-24(29)20-7-2-3-8-21(20)34-25(22)26(27)30/h2-12,15,23H,13-14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,18,19,28,27,29,17,20,5,7,4,8,9,10,31,6,26,30,3,16,21,13,12,14,23,24,11,32,15,25,33,34,2,22/E:(9,10)(11,12)(31,32)/CRV:28.5/rA:34cCOCCCCCCCCNCCCOCCCCCCOCCOCCCCCCNOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;d13s22;s11s23;d24;s12;s26;d27;s28;d29;d26s30;s30;d32;d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H20N2O6 |
All Atoms: | 54 |
Heavy Atoms: | 34 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.33097 |
Area: | 667.305 |
Solvation: | -10.3517 |
Coulombic: | -54.8534 |
Bond Count [?]
All: | 38 |
Single: | 24 |
Double: | 14 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 456.447 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 7 |
XLogP: | 4.09 |
LogP (Chemaxon): | 4.39 |
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 |
---|