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Chemical ID: 7707813
Chemical ID:
7707813
Name [?]:
None
SMILES [?]:
CCCCc1ccc(cc1)OCC(=O)NN=Cc2ccc(cc2)OC(=O)c3ccc(cc3)OCC
InChi [?]:
InChI=1/C28H30N2O5/c1-3-5-6-21-7-13-25(14-8-21)34-20-27(31)30-29-19-22-9-15-26(16-10-22)35-28(32)23-11-17-24(18-12-23)33-4-2/h7-19H,3-6,20H2,1-2H3,(H,30,31)
InChi Info:
AuxInfo=1/1/N:1,35,2,34,3,4,6,10,19,23,28,32,7,9,20,22,29,31,17,12,5,18,27,30,8,21,13,25,16,15,14,26,33,11,24/E:(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)/rA:35nCCCCCCCCCCOCCONNCCCCCCCOCOCCCCCCOCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;s12;d13;s13;s15;w16;s17;s18;d19;s20;d21;d18s22;s21;s24;d25;s25;s27;d28;s29;d30;d27s31;s30;s33;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H30N2O5 |
All Atoms: | 65 |
Heavy Atoms: | 35 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 12.4294 |
Area: | 804.855 |
Solvation: | -7.69197 |
Coulombic: | -54.2897 |
Bond Count [?]
All: | 37 |
Single: | 25 |
Double: | 12 |
Rotors: | 14 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 7.55 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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