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Chemical ID: 4569543
Chemical ID:
4569543
Name [?]:
None
SMILES [?]:
Cc1c(ccc2c1oc(=O)c3c2CCC3)OC(=O)C(C(C)C)NC(=O)OCc4ccccc4
InChi [?]:
InChI=1/C26H27NO6/c1-15(2)22(27-26(30)31-14-17-8-5-4-6-9-17)25(29)32-21-13-12-19-18-10-7-11-20(18)24(28)33-23(19)16(21)3/h4-6,8-9,12-13,15,22H,7,10-11,14H2,1-3H3,(H,27,30)
InChi Info:
AuxInfo=1/1/N:21,22,1,31,30,32,14,29,33,13,15,5,4,27,20,2,28,12,6,11,3,19,7,9,17,24,23,10,18,25,26,16,8/E:(1,2)(5,6)(8,9)/rA:33cCCCCCCCOCOCCCCCOCOCCCCNCOOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s6d11;s12;s13;s11s14;s3;s16;d17;s17;s19;s20;s20;s19;s23;d24;s24;s26;s27;s28;d29;s30;d31;d28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H27NO6 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.5538 |
Area: | 691.701 |
Solvation: | -3.73875 |
Coulombic: | -73.7899 |
Bond Count [?]
All: | 36 |
Single: | 26 |
Double: | 10 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 449.496 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 4.54 |
LogP (Chemaxon): | 5.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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