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Chemical ID: 5718763
Chemical ID:
5718763
Name [?]:
None
SMILES [?]:
CC(=O)COC(=O)c1c2ccccc2nc3c1CCC3=Cc4ccc(c(c4)OC)OC
InChi [?]:
InChI=1/C25H23NO5/c1-15(27)14-31-25(28)23-18-6-4-5-7-20(18)26-24-17(9-10-19(23)24)12-16-8-11-21(29-2)22(13-16)30-3/h4-8,11-13H,9-10,14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,31,29,11,12,10,13,23,19,18,24,21,27,4,2,22,20,9,17,14,25,26,8,16,6,15,3,7,30,28,5/rA:31nCCOCOCOCCCCCCCNCCCCCCCCCCCCOCOC/rB:s1;d2;s2;s4;s5;d6;s6;s8;s9;d10;s11;d12;d9s13;s14;d15;d8s16;s17;s18;s16s19;w20;s21;s22;d23;s24;d25;d22s26;s26;s28;s25;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H23NO5 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.3179 |
Area: | 634.004 |
Solvation: | -7.5322 |
Coulombic: | -45.8627 |
Bond Count [?]
All: | 34 |
Single: | 23 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 417.454 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 3.39 |
LogP (Chemaxon): | 4.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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