ChemDB: Chemical Search
Download
Chemical ID: 5610565
Chemical ID:
5610565
Name [?]:
2-[7-(5-carboxy-1,3-dioxo-isoindolin-2-yl)heptyl]-1,3-dioxo-isoindoline-5-carboxylic acid
SMILES [?]:
c1cc2c(cc1C(=O)O)C(=O)N(C2=O)CCCCCCCN3C(=O)c4ccc(cc4C3=O)C(=O)O
InChi [?]:
InChI=1/C25H22N2O8/c28-20-16-8-6-14(24(32)33)12-18(16)22(30)26(20)10-4-2-1-3-5-11-27-21(29)17-9-7-15(25(34)35)13-19(17)23(27)31/h6-9,12-13H,1-5,10-11H2,(H,32,33)(H,34,35)
InChi Info:
AuxInfo=1/1/N:18,17,19,16,20,1,27,2,26,15,21,5,29,6,28,3,25,4,30,13,23,10,31,7,33,12,22,14,24,11,32,8,9,34,35/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)(30,31)(32,33,34,35)/gE:(1,2)/rA:35nCCCCCCCOOCONCOCCCCCCCNCOCCCCCCCOCOO/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s4;d10;s10;s3s12;d13;s12;s15;s16;s17;s18;s19;s20;s21;s22;d23;s23;s25;d26;s27;d28;d25s29;s22s30;d31;s28;d33;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H22N2O8 |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.0455 |
Area: | 754.761 |
Solvation: | -5.82355 |
Coulombic: | -107.027 |
Bond Count [?]
All: | 38 |
Single: | 26 |
Double: | 12 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 478.451 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 10 |
XLogP: | 3.29 |
LogP (Chemaxon): | 1.8 |
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 |
---|