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Chemical ID: 4568574
Chemical ID:
4568574
Name [?]:
None
SMILES [?]:
Cc1c(ccc2c1oc(=O)c3c2ccc(c3)OC)OC(=O)CCCCCNC(=O)OC(C)(C)C
InChi [?]:
InChI=1/C26H31NO7/c1-16-21(32-22(28)9-7-6-8-14-27-25(30)34-26(2,3)4)13-12-19-18-11-10-17(31-5)15-20(18)24(29)33-23(16)19/h10-13,15H,6-9,14H2,1-5H3,(H,27,30)
InChi Info:
AuxInfo=1/1/N:1,32,33,34,18,24,23,25,22,14,13,5,4,26,16,2,15,12,6,11,3,20,7,9,28,31,27,21,10,29,17,19,8,30/E:(2,3,4)/rA:34nCCCCCCCOCOCCCCCCOCOCOCCCCCNCOOCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s6s11;d12;s13;d14;d11s15;s15;s17;s3;s19;d20;s20;s22;s23;s24;s25;s26;s27;d28;s28;s30;s31;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H31NO7 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.2861 |
Area: | 742.998 |
Solvation: | -5.28887 |
Coulombic: | -77.9388 |
Bond Count [?]
All: | 36 |
Single: | 27 |
Double: | 9 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 469.527 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 5.24 |
LogP (Chemaxon): | 4.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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