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Chemical ID: 5612653
Chemical ID:
5612653
Name [?]:
2-[2-[2-[2-[2-(1,3-dioxoisoindolin-2-yl)ethoxy]ethoxy]ethoxy]ethyl]isoindoline-1,3-dione
SMILES [?]:
c1ccc2c(c1)C(=O)N(C2=O)CCOCCOCCOCCN3C(=O)c4ccccc4C3=O
InChi [?]:
InChI=1/C24H24N2O7/c27-21-17-5-1-2-6-18(17)22(28)25(21)9-11-31-13-15-33-16-14-32-12-10-26-23(29)19-7-3-4-8-20(19)24(26)30/h1-8H,9-16H2
InChi Info:
AuxInfo=1/0/N:1,2,28,29,6,3,27,30,12,22,13,21,15,19,16,18,5,4,26,31,7,10,24,32,9,23,8,11,25,33,14,20,17/E:(1,2,3,4)(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)/rA:33nCCCCCCCONCOCCOCCOCCOCCNCOCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4s9;d10;s9;s12;s13;s14;s15;s16;s17;s18;s19;s20;s21;s22;s23;d24;s24;s26;d27;s28;d29;d26s30;s23s31;d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H24N2O7 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.90437 |
Area: | 711.104 |
Solvation: | -9.87323 |
Coulombic: | -74.3368 |
Bond Count [?]
All: | 36 |
Single: | 26 |
Double: | 10 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 452.457 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 9 |
XLogP: | 1.49 |
LogP (Chemaxon): | 0.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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